data_1xn9_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 1xn9 _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 ' 1' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.85 139.5 50.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.456 HG22 ' CE ' ' A' ' 42' ' ' MET . 67.3 mt -127.05 143.79 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 7.8 ptpt -131.89 115.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.79 105.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -67.54 -69.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 160.68 42.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.24 108.31 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 3.9 tttm -95.26 148.14 22.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.49 146.92 37.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -149.24 92.4 4.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.95 -64.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 14.9 mt -76.71 -21.53 55.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 79.75 32.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' CZ ' HD11 ' A' ' 14' ' ' LEU . 34.6 ptt180 -122.99 -170.52 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -150.4 120.48 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.82 101.92 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.08 134.21 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.14 142.53 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 22.1 p90 -158.98 169.86 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 19.7 mm -120.53 133.5 67.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -103.01 128.01 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -125.57 148.34 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -161.68 173.44 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -129.95 71.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.3 -148.87 20.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.55 134.6 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -63.55 146.59 96.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.3 Cg_endo -75.06 161.34 38.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -97.06 141.89 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.94 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -47.23 -35.12 7.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -68.55 -40.14 80.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -44.06 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.03 -41.23 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -52.66 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -58.53 -36.35 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 3.4 tttp -64.64 -53.02 54.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -53.54 56.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.75 -37.08 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.17 -37.61 61.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.456 ' CE ' HG22 ' A' ' 3' ' ' ILE . 32.1 mtp -66.54 -47.29 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.24 5.82 47.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 44.2 38.63 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.82 166.7 10.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 146.8 33.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.54 -49.59 39.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.22 -39.43 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.495 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -79.4 -28.24 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.65 129.54 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.073 . . . . 0.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.11 157.4 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mm -118.66 125.24 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -66.9 -56.86 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.48 130.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 56' ' ' LYS . 26.1 mt -91.45 142.23 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' N ' HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -125.04 117.47 24.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.5 m -134.11 136.53 43.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.09 154.6 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -168.51 128.82 1.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.24 155.62 22.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -121.04 112.92 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' ARG . 8.7 tp -99.3 125.3 44.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -113.12 157.46 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.04 -23.82 24.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -153.68 153.72 32.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.62 -36.96 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -48.97 -36.5 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HG3' ' CB ' ' A' ' 15' ' ' ASN . 2.4 mmt180 -74.73 -47.49 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.3 ttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.514 0.197 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.42 130.36 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 44.3 mt -116.02 138.93 44.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 4.2 ptpt -129.72 110.86 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.14 112.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.32 -69.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -147.41 157.43 43.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.18 114.28 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -104.5 139.31 39.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 134.25 47.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -142.4 85.84 10.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -15.34 20.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt -61.17 -56.96 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.79 2.26 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 m120 58.77 44.96 16.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 34.2 ptt180 -139.35 -169.04 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.57 124.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -94.86 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.36 134.3 55.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 27.2 m-20 -114.65 141.16 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -156.86 167.75 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 134.14 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.2 t -102.87 124.29 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -124.71 149.43 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -171.51 171.82 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.61 90.89 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.18 -144.4 16.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.23 139.3 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.7 m -77.29 139.34 64.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.03 157.26 42.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.88 161.4 13.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -58.86 -31.7 68.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -67.12 -52.24 44.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -55.79 -50.34 70.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.81 -38.11 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' CD ' HD21 ' A' ' 47' ' ' LEU . 7.1 mtt180 -60.68 -53.17 60.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -59.46 -36.53 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 6.4 tttp -61.26 -51.08 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -53.46 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.98 -36.46 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.99 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.421 ' CE ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -67.03 -47.18 72.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.82 3.58 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 45.41 39.97 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.473 ' CB ' HD11 ' A' ' 70' ' ' LEU . . . -109.98 166.06 11.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.05 131.91 14.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -56.08 -51.34 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.28 -51.04 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 25.7 mt -66.92 -27.19 67.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.52 137.1 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.34 158.24 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -118.68 127.46 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -68.37 -69.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -166.97 123.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.2 mt -87.99 141.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -125.0 111.44 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 23' ' ' VAL . 24.4 m -127.19 130.71 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -115.68 147.4 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.01 136.83 4.28 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -85.47 142.08 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -119.94 153.99 35.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -119.21 112.88 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD11 ' CB ' ' A' ' 45' ' ' ALA . 14.1 tp -99.53 123.13 43.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 68.9 m-85 -112.81 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.44 -36.15 10.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 76' ' ' ARG . 19.1 m-20 -131.02 156.52 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 -38.62 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.03 -47.7 77.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -54.99 -50.86 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.1 ttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 111.01 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.27 134.4 54.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 44.1 mt -122.52 133.53 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.29 108.46 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.93 117.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.8 mm -81.54 -71.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -145.28 152.13 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -123.78 113.25 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttm -100.87 148.75 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.97 144.21 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -147.77 89.87 5.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.37 20.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.45 -64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 11.3 mt -74.7 -21.68 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.9 t-20 80.84 40.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 14' ' ' LEU . 32.8 ptt180 -133.63 -166.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -154.47 118.61 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.54 105.64 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.33 135.11 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 15.3 m-20 -114.82 138.22 51.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CE2' ' CG1' ' A' ' 35' ' ' VAL . 54.6 p90 -153.09 164.17 38.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 mm -116.53 133.76 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.22 123.02 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -123.42 146.43 48.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 8.2 p90 -163.47 169.74 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -124.83 75.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.33 -142.06 9.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -50.28 159.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 3.0 m -86.96 144.93 37.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 150.65 38.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 m -86.7 156.42 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -58.34 -32.14 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -74.86 -27.81 60.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.8 -53.65 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG1' ' CE2' ' A' ' 21' ' ' PHE . 69.8 t -59.94 -40.14 82.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -50.0 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.5 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.5 m-20 -62.66 -35.33 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.1 tttp -65.54 -51.43 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -63.34 -53.63 49.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -48.89 -37.84 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.83 62.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 74.0 mtp -67.77 -47.25 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.51 7.57 35.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER 42.16 38.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.87 166.42 10.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 146.06 32.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.4 -48.33 50.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.47 -37.24 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.496 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 35.2 mt -83.22 -27.37 30.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.64 135.17 35.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.83 161.97 32.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.3 mm -119.63 128.47 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -71.63 -62.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -174.99 121.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.2 mt -87.35 139.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -124.59 114.77 19.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 m -112.48 130.3 56.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -117.79 139.85 50.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.49 138.64 5.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.435 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.8 m-85 -86.49 125.08 33.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.04 156.76 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -122.29 113.05 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' ARG . 10.7 tp -99.73 123.89 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -112.95 161.74 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.74 -36.25 14.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -138.0 145.34 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.43 -41.4 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -36.58 26.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -70.21 -50.79 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.0 ttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.522 0.201 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.39 133.16 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 46.3 mt -121.79 139.77 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -129.76 106.48 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.75 113.44 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ASP . 7.9 mm -76.23 -73.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.56 153.86 42.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -123.85 113.81 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.5 tttp -100.78 146.83 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 7.7 tttt -113.65 148.69 35.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -153.82 93.84 2.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.32 20.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.16 -63.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 85.9 mt -79.3 -17.91 53.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 5.2 t-20 76.06 43.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -131.55 -168.36 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -156.4 115.59 3.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -89.63 110.6 21.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.27 134.53 54.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 3.9 m-20 -114.39 141.12 48.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -158.43 163.79 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.454 ' CG2' ' HG3' ' A' ' 63' ' ' GLU . 48.7 mm -115.65 134.28 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 t -102.83 125.18 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -124.95 145.07 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -160.63 177.06 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.78 81.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.85 -147.22 18.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.54 144.1 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.9 m -67.98 146.31 98.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.04 167.13 27.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 m -101.96 149.62 24.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.27 -46.13 72.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -62.22 -32.44 73.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.28 -42.94 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.03 -41.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -61.92 -46.68 88.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.1 m-20 -61.76 -29.67 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 5.4 tttp -70.65 -52.69 19.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -53.49 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.41 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.52 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -47.28 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.69 5.58 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 44.64 38.44 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.28 166.01 11.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 145.85 32.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -70.53 -50.3 39.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -38.71 6.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.499 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 28.7 mt -80.9 -29.73 35.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.44 124.37 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 2.6 t -127.84 159.72 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mm -119.06 129.14 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -71.41 -65.91 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.73 127.68 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.8 mt -92.15 143.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 114.52 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.3 m -119.19 134.62 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 6.0 ptpp? -120.08 143.16 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.97 139.69 6.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.9 136.13 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.65 157.0 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -121.37 113.04 19.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' ARG . 9.3 tp -99.71 125.65 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -113.52 156.1 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.33 -22.15 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.62 157.07 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' N ' HD21 ' A' ' 49' ' ' LEU . . . -82.8 -37.39 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.18 -48.37 73.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -50.74 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.8 ttp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.411 ' HE3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.468 0.175 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.98 142.43 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 51.4 mt -127.28 145.45 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmt -135.72 111.33 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.21 112.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.31 -70.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -148.42 154.8 40.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -124.34 111.18 15.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -102.22 148.1 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -114.83 148.75 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -147.91 95.94 4.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.69 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 50.4 mt -79.31 -23.5 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 81.84 40.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.45 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 36.0 ptt180 -128.1 -171.0 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.58 115.32 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 16' ' ' ARG . 33.2 mm-40 -88.18 103.36 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.09 133.91 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 8.6 m-20 -115.54 140.54 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 52.9 p90 -157.26 165.58 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 31.6 mm -119.86 133.92 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -102.92 125.9 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -122.1 146.4 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.8 p90 -160.56 179.35 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.64 68.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.08 -149.77 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.41 131.25 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.493 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 1.2 t -55.33 147.42 37.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.0 173.79 13.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.5 m -105.93 150.8 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -51.54 -38.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.19 -49.59 71.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.24 -49.34 76.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.411 ' N ' ' HE3' ' A' ' 1' ' ' MET . 74.7 t -65.7 -35.28 74.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.37 -53.09 48.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -57.87 -29.35 64.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.9 tttp -69.78 -52.64 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -60.8 -53.56 55.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.95 -36.79 18.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.19 -37.75 61.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.27 -47.27 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.23 6.88 40.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.2 p30 42.23 38.23 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.27 165.89 11.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -65.81 -50.16 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -44.57 -40.26 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 30.6 mt -80.66 -30.51 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -82.74 113.72 20.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.7 t -119.23 165.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG12 ' NE ' ' A' ' 36' ' ' ARG . 2.9 mm -120.32 132.29 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.85 -52.91 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.8 125.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.6 mt -91.26 142.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 114.09 18.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.3 m -131.5 130.81 42.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -117.26 151.93 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -170.9 128.1 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -80.65 134.55 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.6 154.43 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -118.41 112.89 20.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.5 tp -100.08 123.47 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.3 m-85 -105.06 152.18 23.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.5 -30.87 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -143.41 158.96 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.14 -40.93 29.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -50.9 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -53.18 58.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.514 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.8 tmm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.43 138.09 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 mt -124.08 130.72 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.438 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 1.9 ptmt -124.21 113.33 18.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -64.39 117.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' CG1' HG12 ' A' ' 22' ' ' ILE . 3.5 mm -79.67 -68.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -148.34 153.15 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.72 113.9 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.3 tttp -100.12 147.15 25.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.96 144.12 32.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -153.06 82.33 4.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.81 18.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.2 mt -60.35 -57.81 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mt -84.6 2.01 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.445 ' ND2' ' NH1' ' A' ' 76' ' ' ARG . 30.8 m120 57.72 46.61 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -140.75 -169.9 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -154.23 125.27 7.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.51 107.63 20.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.67 136.78 52.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.541 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 10.1 m-20 -116.34 137.15 52.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.503 ' CD1' HD12 ' A' ' 39' ' ' LEU . 46.5 p90 -151.0 165.73 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.438 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 30.2 mm -118.46 133.9 63.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.0 123.25 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -121.94 148.07 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.06 172.68 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.76 63.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.71 -140.83 7.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -48.73 160.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.41 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -86.78 145.11 38.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.5 Cg_endo -74.97 158.64 42.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.82 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.4 m -98.71 150.25 22.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -49.19 -42.31 39.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -63.73 -43.25 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.5 -46.39 90.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.25 -37.33 75.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 1.7 mtt85 -63.08 -53.05 59.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.4 m-20 -58.92 -40.06 83.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.74 -52.35 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD12 ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -61.92 -51.98 65.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -36.3 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -39.96 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.2 mtp -66.44 -47.07 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.79 6.32 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.2 p30 42.33 38.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.1 162.9 18.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 134.82 18.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -59.19 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -46.06 -45.6 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 46.5 mt -75.16 -25.26 58.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.55 137.93 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.8 t -138.92 156.47 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.0 mm -116.67 123.55 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -65.41 -59.42 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.42 127.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.7 mt -90.52 141.53 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.17 115.0 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.5 m -123.42 131.14 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -119.27 141.84 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.79 136.94 4.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.1 m-85 -82.34 144.34 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.05 154.57 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -118.44 112.99 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 17' ' ' ARG . 12.6 tp -101.27 124.01 46.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' N ' HD13 ' A' ' 70' ' ' LEU . 34.1 m-85 -109.66 162.86 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.29 -32.02 18.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.04 163.28 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' N ' HD23 ' A' ' 49' ' ' LEU . . . -80.15 -36.72 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -51.41 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' NH1' ' ND2' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -54.77 -48.94 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.5 ttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.521 0.201 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.76 144.31 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 8.5 mt -132.64 135.6 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.458 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.4 pttt -127.04 110.53 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.6 mt -62.26 109.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.2 mm -72.02 -73.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -144.89 155.6 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.96 112.85 17.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.8 tttp -103.94 146.5 28.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -112.37 148.99 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -146.32 96.62 4.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.1 18.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.08 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 36.8 mt -78.99 -17.01 56.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 74.82 28.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -118.46 -176.84 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -144.07 118.22 9.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -90.51 110.12 21.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.31 134.52 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' ILE . 10.4 m-20 -114.11 140.63 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' CE1' HD13 ' A' ' 39' ' ' LEU . 41.5 p90 -158.6 160.61 36.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.488 ' CG2' ' CG ' ' A' ' 63' ' ' GLU . 28.1 mm -113.67 133.16 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -103.0 126.49 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -126.67 147.25 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 6.4 p90 -161.14 167.35 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -126.85 40.85 3.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.12 -144.17 3.88 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.33 157.37 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -68.66 125.99 92.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.63 32.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -80.46 169.13 18.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -67.92 -33.71 75.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -66.76 -42.23 86.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -50.53 69.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.82 -34.94 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -53.08 49.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.73 -23.81 31.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.3 tttp -76.58 -50.81 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -64.02 -53.18 54.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.71 -36.38 16.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.05 -37.36 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -47.23 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.19 3.18 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 45.3 39.17 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.31 163.39 17.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 126.91 10.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -52.72 -48.35 66.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.32 -47.04 18.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 38.3 mt -73.12 -25.11 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -82.6 137.85 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -138.75 158.92 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -119.15 125.91 74.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.32 -65.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -172.89 121.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mt -86.88 140.85 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.87 115.23 20.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.488 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 m -111.0 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -118.27 143.29 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.11 139.75 6.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 9.1 m-85 -89.0 126.08 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.11 155.54 18.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -119.21 113.0 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 17' ' ' ARG . 12.2 tp -98.89 122.91 42.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' N ' HD13 ' A' ' 70' ' ' LEU . 32.3 m-85 -109.61 156.47 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.16 -22.11 25.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.92 160.35 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' N ' HD22 ' A' ' 49' ' ' LEU . . . -82.63 -29.37 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -46.76 84.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mmt-85 -62.49 -45.09 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 ttp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.435 0.16 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.05 142.64 46.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 37.5 mt -125.79 148.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 7.5 ptpt -134.61 114.3 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.83 108.59 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.4 mm -71.32 -69.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -147.96 156.08 42.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -125.34 111.46 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 tttp -102.62 144.16 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.1 tttt -111.93 149.1 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -153.26 96.25 2.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.5 20.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.97 -62.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 26.1 mt -76.99 -17.88 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 75.54 33.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 13.3 ptp180 -129.14 -174.31 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -145.58 121.72 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -91.76 106.68 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.56 134.42 53.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 7.2 m-20 -116.01 139.4 50.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.55 ' CD2' HD12 ' A' ' 39' ' ' LEU . 47.7 p90 -156.82 173.01 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.4 mm -127.97 133.27 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 3.3 t -102.85 124.35 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -122.59 149.81 43.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.4 p90 -160.09 168.35 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.01 55.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.56 161.34 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t 62.37 161.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -117.18 118.87 35.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.87 25.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.4 m -86.31 172.76 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -65.73 -42.51 90.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -66.25 -29.77 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -41.91 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.0 t -71.96 -46.43 59.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -51.62 -52.91 43.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.497 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.7 m-20 -52.96 -31.59 41.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 1.3 tttt -71.64 -52.04 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -62.66 -53.05 60.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -35.8 14.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.09 61.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -47.36 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.71 5.67 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 43.09 37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.08 165.9 11.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.497 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.96 -50.73 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.27 -40.39 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.503 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 29.7 mt -78.89 -29.39 44.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -82.51 124.5 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.429 HG13 ' NH2' ' A' ' 36' ' ' ARG . 1.6 t -127.49 152.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.448 ' CD1' ' HG3' ' A' ' 36' ' ' ARG . 6.7 mm -105.49 122.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.02 -55.96 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.75 120.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.6 mt -89.48 141.22 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -123.45 114.01 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -129.21 126.89 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -117.82 146.71 43.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.3 142.52 7.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 5.6 m-85 -90.48 127.85 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.62 153.44 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -115.71 112.84 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 17' ' ' ARG . 10.3 tp -99.36 124.17 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.2 m-85 -113.77 157.43 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -82.4 -28.0 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.27 154.11 39.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.61 54.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.92 -48.93 42.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -60.16 -49.46 77.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.557 0.217 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.42 128.8 55.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.487 ' CG2' ' CE ' ' A' ' 42' ' ' MET . 11.6 mt -112.41 145.2 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -136.38 107.57 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.76 113.94 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.7 mm -76.35 -70.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.02 160.72 41.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -131.41 111.2 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 13.5 tttt -100.14 145.67 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.34 148.83 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -150.41 96.29 3.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 mt -63.66 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD11 ' CZ ' ' A' ' 16' ' ' ARG . 55.9 mt -78.36 -13.91 59.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 70.87 41.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.451 ' CZ ' HD11 ' A' ' 14' ' ' LEU . 33.2 ptt180 -128.97 -170.4 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.2 ttp180 -153.1 113.42 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.98 107.23 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.46 134.67 52.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' ILE . 23.0 m-20 -115.28 140.26 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 39' ' ' LEU . 19.9 p90 -156.4 168.29 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.433 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 18.3 mm -124.21 131.47 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -103.21 124.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -121.7 148.29 44.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.463 ' CE1' ' CD ' ' A' ' 30' ' ' PRO . 21.0 p90 -167.18 167.63 14.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.29 67.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.67 -141.82 7.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -52.14 152.84 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -80.92 137.85 50.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' CD ' ' CE1' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -75.03 146.53 32.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -94.0 148.27 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -34.35 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -64.12 -49.82 70.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.91 -55.64 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.97 -35.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.47 ' HG3' ' CG1' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -63.12 -53.92 45.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.48 -42.71 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 13.0 tttm -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -58.14 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.2 -37.34 22.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.28 -38.12 60.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.487 ' CE ' ' CG2' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -67.32 -47.62 70.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.84 5.4 48.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 42.74 37.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.54 166.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -74.96 120.62 6.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -46.86 -50.39 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.11 -54.57 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 47.2 mt -64.68 -25.81 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.47 136.12 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.11 158.73 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 12.7 mm -118.31 126.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -176.03 123.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' CD1' ' HA3' ' A' ' 66' ' ' GLY . 1.6 mm -84.41 143.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.7 110.9 14.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 m -134.09 130.94 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 151.68 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' ' 55' ' ' ILE . . . -162.44 126.21 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.65 120.79 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.69 154.78 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -120.52 112.68 19.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' ARG . 9.3 tp -96.87 124.75 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -110.95 158.39 18.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.23 -30.28 21.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.06 160.71 40.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.39 -40.63 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.05 -45.61 52.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -61.58 -50.71 71.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 ttp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.496 ' HE1' ' CB ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.474 0.178 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.04 134.94 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.461 HD13 ' CE ' ' A' ' 1' ' ' MET . 10.3 mt -115.0 141.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.431 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 0.6 OUTLIER -131.63 105.67 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -58.3 116.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -80.0 -69.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -147.28 156.2 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 114.65 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -103.99 141.92 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -105.56 136.64 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -140.19 85.84 13.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.21 20.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 15.4 mt -75.69 -16.66 60.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 t-20 79.44 38.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 34.2 ptt180 -131.41 -170.2 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.87 121.84 7.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 16' ' ' ARG . 6.0 mm-40 -93.22 110.18 21.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.78 134.96 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.52 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 9.0 m-20 -115.59 138.67 50.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CE1' HD11 ' A' ' 39' ' ' LEU . 53.9 p90 -156.02 164.41 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 65' ' ' LYS . 31.0 mm -118.06 134.2 62.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.8 124.09 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -119.62 146.51 45.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.5 p90 -158.71 171.53 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.98 58.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.47 -141.77 7.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -46.81 139.89 5.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -71.22 143.77 88.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.82 43.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -95.85 167.83 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -66.7 -33.1 74.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 10.7 p30 -72.91 -36.64 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 48.1 m-20 -64.94 -44.74 88.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.43 ' CG1' ' CE2' ' A' ' 21' ' ' PHE . 70.9 t -69.89 -37.64 73.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -49.49 74.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.8 m-20 -62.9 -42.33 99.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.496 ' CB ' ' HE1' ' A' ' 1' ' ' MET . 0.1 OUTLIER -59.87 -50.07 75.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.515 HD11 ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -63.0 -53.66 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.76 -37.76 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.6 61.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 77.1 mtp -68.16 -47.33 68.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.43 8.06 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.6 p30 41.92 39.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.19 166.33 11.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.97 148.5 35.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -72.69 -49.52 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.33 -37.93 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.496 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 31.8 mt -81.92 -27.89 33.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.2 tp -82.47 134.32 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.65 159.29 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.8 mm -118.98 126.33 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.2 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -176.78 124.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 53.6 mt -87.79 140.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 113.61 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -127.0 128.64 46.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 4.6 ptpp? -116.95 146.54 42.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.84 141.98 7.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.08 125.63 35.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.81 154.69 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -120.23 112.95 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 12.2 tp -100.54 123.19 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -110.95 165.66 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.2 -26.37 17.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.2 159.88 42.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.68 -40.44 20.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -49.55 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -51.32 66.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.9 ttp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.439 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.515 0.198 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.65 148.83 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.465 HG23 ' CE ' ' A' ' 42' ' ' MET . 5.1 mt -134.01 140.64 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 13.6 ptpt -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.71 107.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -68.97 -74.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -139.19 161.36 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.416 ' CG ' ' NH1' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -125.64 112.09 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 tttm -112.84 143.25 44.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -114.91 148.72 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -143.3 96.6 5.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.65 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.2 -64.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.73 -13.59 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 73.3 41.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 31.6 ptt180 -133.39 -172.59 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' NH1' ' CG ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -141.61 127.54 19.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.15 110.2 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.44 135.97 54.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 5.7 m-20 -118.0 143.22 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -160.11 166.36 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 6.7 mm -118.0 131.62 70.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.74 124.38 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -119.16 152.96 35.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.16 167.05 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.52 72.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.87 -142.03 8.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -56.84 151.08 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.4 m -74.39 139.59 75.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.06 166.84 28.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -97.88 166.89 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.58 82.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -67.24 -26.47 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.8 -53.69 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.62 -40.19 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -53.46 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.7 m-20 -54.21 -27.45 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 1.0 OUTLIER -73.48 -52.47 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -53.27 59.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.68 -36.12 15.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.56 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.465 ' CE ' HG23 ' A' ' 3' ' ' ILE . 9.5 mtm -69.13 -47.37 65.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.45 5.29 50.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER 42.16 37.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.46 162.8 18.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 127.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.13 -47.86 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 12.9 pt-20 -46.47 -44.29 17.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -76.44 -25.4 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -82.62 136.8 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.14 158.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 mm -119.86 125.2 74.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 177.08 127.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -88.4 136.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.58 113.41 24.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.374 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.6 tm-20 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m -129.77 137.96 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -124.04 143.58 50.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.37 141.03 7.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -86.65 131.01 34.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -108.62 154.23 22.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -120.63 114.06 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.74 124.4 46.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 58.2 m-85 -113.05 160.98 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -91.21 -33.73 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -136.46 156.35 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' N ' HD23 ' A' ' 49' ' ' LEU . . . -82.44 -40.01 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -49.17 54.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -50.33 73.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.3 ttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.48 0.181 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.93 144.37 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.462 HG22 ' CE ' ' A' ' 42' ' ' MET . 29.7 mt -132.21 136.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 8.9 ptpt -127.87 112.83 15.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.5 111.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.4 mm -71.98 -67.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -150.62 158.47 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.35 109.94 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttp -100.11 144.1 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -113.05 148.77 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -152.58 96.11 3.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -15.35 20.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.96 -59.01 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.98 -17.48 52.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.46 29.28 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 29.7 ptt180 -122.06 -170.96 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.13 120.05 7.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.452 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 67.1 mm-40 -91.73 104.08 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.41 134.08 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 27.6 m-20 -116.2 142.57 46.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.491 ' CD1' HD12 ' A' ' 39' ' ' LEU . 34.9 p90 -160.07 165.04 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.415 HD12 ' CB ' ' A' ' 65' ' ' LYS . 16.0 mm -116.58 132.54 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.423 HG12 ' CG ' ' A' ' 30' ' ' PRO . 17.0 t -103.24 120.72 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -115.95 145.57 42.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.91 174.84 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.17 70.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.86 -147.97 18.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.76 133.1 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.443 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -64.85 145.72 98.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.97 145.14 31.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -88.6 153.92 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.948 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -56.02 -37.08 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -73.69 -25.18 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -48.82 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.54 -42.84 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -57.67 -51.98 67.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -56.51 -32.76 65.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 10.0 tttm -71.1 -52.25 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -61.26 -53.77 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.64 -36.7 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.31 60.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.462 ' CE ' HG22 ' A' ' 3' ' ' ILE . 52.5 mtp -67.82 -47.32 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.85 6.31 42.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER 42.32 38.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.88 166.14 11.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 121.58 6.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -49.16 -48.86 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -45.35 -50.02 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 38.9 mt -68.91 -25.93 64.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.66 137.16 34.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.28 161.37 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.453 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 3.1 mm -121.0 128.03 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HB2' ' CE ' ' A' ' 69' ' ' LYS . 18.3 tt0 -71.54 -57.42 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.45 128.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mt -92.12 141.13 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -123.55 110.85 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.6 m -138.33 135.19 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' CB ' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -120.73 145.85 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -158.78 130.87 2.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.43 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -82.45 120.56 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.96 156.93 16.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 53' ' ' GLN . 2.1 mtmp? -121.5 114.11 20.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' ARG . 13.4 tp -101.76 124.28 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -111.95 168.48 9.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -95.78 -35.68 11.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -136.77 158.46 44.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -44.77 20.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.05 -44.24 41.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -62.16 -51.09 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ttp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.27 144.36 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.433 HG21 ' CD2' ' A' ' 21' ' ' PHE . 20.2 mt -131.39 137.36 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.436 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.8 pttt -131.31 111.85 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -62.82 113.87 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.4 mm -75.64 -73.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -137.11 160.07 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -126.86 108.31 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' GLU . 8.5 tttt -112.18 141.03 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -112.66 148.77 33.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -138.49 95.4 10.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -16.25 20.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -64.99 -56.85 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 72.6 mt -85.17 -18.91 32.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 80.49 33.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -124.91 -174.91 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -140.75 125.46 18.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.3 mm-40 -94.58 107.17 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.42 134.43 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.482 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 12.4 m-20 -118.64 144.93 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.433 ' CD2' HG21 ' A' ' 3' ' ' ILE . 25.3 p90 -161.26 164.38 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.436 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 15.6 mm -114.21 133.37 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 t -102.63 117.62 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -114.29 155.0 27.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -168.14 -179.98 4.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.13 73.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.58 -141.13 9.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.3 159.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -85.03 143.34 39.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.8 m -105.89 143.48 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -46.06 -37.69 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -65.2 -44.32 88.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -49.85 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.72 -39.62 85.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -59.2 -50.64 73.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.0 m-20 -61.68 -32.4 72.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -66.85 -52.91 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -53.17 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.71 -37.61 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.89 61.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.475 ' CB ' HD22 ' A' ' 43' ' ' LEU . 4.8 mmm -68.14 -47.17 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.56 5.3 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 44.6 38.84 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.14 165.59 12.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.04 139.24 23.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -62.86 -50.55 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.08 -49.03 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 27.6 mt -68.76 -27.18 65.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.62 138.77 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.14 159.13 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mm -121.0 125.17 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -68.17 -64.9 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -170.65 124.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.1 mt -91.25 139.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 118.26 25.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -126.65 134.49 50.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -120.81 141.25 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.16 137.98 5.21 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.482 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.4 m-85 -89.22 123.53 33.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.94 154.36 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -119.86 113.42 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 17' ' ' ARG . 12.8 tp -100.19 125.62 46.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -108.69 158.14 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.46 -24.19 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -148.88 159.2 44.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -38.45 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -45.4 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -63.77 -47.28 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.5 ttp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.51 0.195 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 147.56 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.5 HG22 ' CD2' ' A' ' 21' ' ' PHE . 81.2 mt -134.5 143.91 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 5.3 pttt -134.27 103.94 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.11 114.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.3 mm -76.59 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -146.73 155.9 42.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -125.12 110.05 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 9.8 tttt -100.07 144.73 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -110.31 148.73 31.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -148.36 96.85 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.63 20.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -67.07 -59.47 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 16' ' ' ARG . 31.4 mt -84.1 -8.81 59.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.7 27.0 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.494 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 32.7 ptt180 -114.54 -169.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -151.89 119.01 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 39.8 mm-40 -90.66 105.89 18.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.33 133.95 53.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.562 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 25.3 m-20 -116.5 142.22 47.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 29.6 p90 -159.08 163.51 36.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.409 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 20.7 mm -113.95 134.09 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.85 128.89 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -126.19 150.47 48.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.8 p90 -162.83 176.06 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -134.12 60.9 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.55 -144.48 9.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.57 160.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.3 m -80.26 138.81 52.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 149.91 37.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -89.46 159.04 17.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 19.4 mtm105 -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -66.63 -24.33 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -46.94 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.8 t -65.69 -45.29 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.58 -48.85 71.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.0 m-20 -57.82 -36.76 72.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.6 tttp -67.7 -53.41 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.33 -53.46 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -48.84 -37.98 20.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.41 62.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.5 mtp -67.51 -47.2 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.59 6.21 44.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.1 p30 42.39 39.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.31 164.83 13.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 130.12 12.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -53.98 -53.07 57.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.89 -54.64 4.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 22.8 mt -62.29 -29.32 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.14 137.03 35.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.51 154.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.4 mm -110.22 125.25 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -67.12 -57.94 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 177.53 121.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.3 mt -84.14 139.51 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -125.18 111.43 15.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.3 m -131.68 138.84 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -117.85 144.73 45.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.515 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.93 128.42 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -81.87 132.03 35.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.769 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -110.45 154.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -119.17 112.91 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' ARG . 8.9 tp -99.25 124.67 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -111.09 160.08 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.89 -32.13 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.33 163.23 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' N ' HD21 ' A' ' 49' ' ' LEU . . . -81.28 -38.02 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.62 -46.73 77.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.9 ttp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.962 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.422 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.97 134.43 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 5.4 mt -122.11 136.36 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.436 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 8.5 ptmt -130.6 113.88 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.0 mt -66.05 117.15 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -79.87 -70.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 155.0 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -125.73 111.98 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -102.99 145.61 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 3.8 tttt -112.01 148.99 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -151.61 96.09 3.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.45 19.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.97 -59.4 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 56.2 mt -82.5 -20.68 36.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.2 t-20 79.11 35.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 27.5 ptt180 -126.8 -172.37 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -148.05 116.84 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -88.3 105.94 17.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.38 134.36 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 35.7 m-20 -114.85 141.49 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -157.06 170.03 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.024 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.436 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 26.6 mm -123.36 132.83 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 t -102.92 122.89 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -122.2 145.32 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -159.61 172.56 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -132.75 56.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -142.52 6.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.53 159.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -85.43 134.24 40.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.09 34.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.06 172.22 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -70.81 -29.29 65.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.07 -44.03 55.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -57.01 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.8 t -58.23 -35.05 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -62.52 -52.44 63.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.6 m-20 -59.03 -35.16 72.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 3.6 tttm -64.54 -52.06 59.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -53.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.41 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.61 61.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.457 ' CB ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -69.48 -47.22 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.57 6.0 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 43.57 37.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.96 165.07 13.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 143.15 28.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -68.17 -49.27 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -46.19 -42.09 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.495 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 42.2 mt -77.0 -26.97 54.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -82.6 135.54 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -136.63 159.12 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.8 mm -120.68 125.62 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -66.66 -59.52 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 179.86 124.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 mt -85.78 142.17 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -124.95 115.21 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 m -111.79 131.81 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 110.045 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 5.6 ptpp? -117.32 146.22 43.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.41 144.42 9.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.9 m-85 -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.83 159.39 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -124.46 112.93 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' ARG . 11.5 tp -100.95 123.34 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.4 m-85 -110.22 165.25 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.37 -25.53 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -155.56 159.05 39.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.97 33.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.01 -44.54 41.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -49.15 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 ttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.528 0.204 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.25 131.32 53.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 28.5 mt -113.98 149.05 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.72 116.0 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.88 113.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.23 -67.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.03 160.65 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.48 109.49 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 ttpp -97.28 145.6 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 12.1 tttt -102.83 139.49 38.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -140.56 82.46 16.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -19.79 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.28 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.44 HD12 ' CZ ' ' A' ' 16' ' ' ARG . 9.8 mt -78.49 -10.97 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.23 34.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.44 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 36.3 ptt180 -126.47 -171.14 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.28 124.1 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.47 105.96 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.3 134.59 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -117.97 138.89 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 39' ' ' LEU . 27.9 p90 -154.42 171.62 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.459 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 14.4 mm -123.71 133.92 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 t -104.12 119.56 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' CG ' ' HG2' ' A' ' 63' ' ' GLU . 7.5 mttm -113.7 155.36 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.506 ' OH ' ' CG2' ' A' ' 57' ' ' THR . 19.3 p90 -173.43 168.31 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.89 86.84 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.44 158.97 31.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t 58.29 161.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 m -120.79 119.8 29.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.88 25.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 m -83.09 162.22 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -58.25 -48.69 79.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 13.7 p30 -56.08 -33.21 64.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -71.35 -51.74 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.52 -41.69 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -51.14 65.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.6 m-20 -56.28 -33.01 65.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 3.2 tttt -66.69 -46.74 74.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.407 HD12 ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -69.93 -53.58 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.63 -38.03 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.99 -37.96 61.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.481 ' CB ' HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -67.58 -47.34 70.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.1 4.76 44.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 44.84 38.94 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.25 165.1 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 138.48 23.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.548 1.815 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -63.94 -50.9 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -45.17 -42.95 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 23.4 mt -75.08 -28.82 60.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -82.22 138.5 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -138.97 159.6 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mm -120.28 127.56 75.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.1 -54.67 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.58 127.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.4 mt -93.56 143.37 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -124.67 110.85 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.506 ' CG2' ' OH ' ' A' ' 25' ' ' TYR . 25.4 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 24' ' ' LYS . 34.3 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -146.87 121.55 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' CB ' HD13 ' A' ' 22' ' ' ILE . 8.1 ptpp? -119.02 143.83 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.63 143.54 8.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.48 135.67 33.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.26 159.68 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.7 mtmt -124.47 113.06 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 17' ' ' ARG . 12.5 tp -101.05 122.6 43.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 13.2 m-85 -110.96 166.16 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -135.89 161.76 34.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' N ' HD21 ' A' ' 49' ' ' LEU . . . -78.58 -37.26 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.28 -46.18 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -50.23 70.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.497 0.189 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -116.4 110.62 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 26.9 mt -103.33 134.2 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.404 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmm? -128.63 109.01 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.81 116.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.28 -68.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 154.23 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.64 112.62 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -99.82 142.05 31.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 16.2 tttt -105.07 138.08 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.407 ' ND2' HD11 ' A' ' 14' ' ' LEU . 16.8 t-20 -145.03 82.88 9.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.35 -63.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 12.5 mt -74.09 -19.47 60.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER 81.44 42.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 12.6 ptp180 -140.01 -168.96 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -95.82 107.46 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.74 136.14 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -118.72 139.25 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 22.6 p90 -151.82 172.66 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 65' ' ' LYS . 32.5 mm -123.01 131.41 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' SER . 4.8 t -102.76 124.69 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -128.09 157.4 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 28' ' ' SER . 4.9 p90 -169.83 160.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.64 60.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 166.0 14.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 16.3 t 57.99 160.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 117.52 31.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.48 26.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -82.49 169.24 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -62.95 -37.15 85.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' A' ' 34' ' ' ASP . 2.2 p-10 -63.63 -48.98 75.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 67.4 m-20 -57.3 -46.39 83.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.91 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -59.47 -52.88 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.4 m-20 -54.03 -35.18 61.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 4.2 tttp -67.77 -51.97 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -53.52 56.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.18 -37.07 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.75 61.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.407 ' CB ' HD22 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -67.37 -47.16 71.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.46 6.04 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 44.68 39.26 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.43 164.81 14.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.461 1.769 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -66.68 -50.74 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.31 -44.86 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 29.2 mt -74.01 -27.23 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.41 138.33 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.26 156.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 mm -117.5 127.23 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -68.06 -66.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.54 123.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.455 ' CD1' ' HG3' ' A' ' 32' ' ' ARG . 23.8 mt -90.04 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -124.83 115.6 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' VAL . 18.9 m -113.26 131.04 56.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 3.7 ptpp? -118.51 141.41 48.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.23 143.35 8.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.6 145.52 26.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.79 154.49 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -119.43 114.03 21.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' ARG . 10.1 tp -100.16 124.29 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 69.2 m-85 -115.57 158.7 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.06 -32.51 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -136.17 156.45 48.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.55 -31.66 32.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.59 -53.42 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -45.35 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.2 ttp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.499 0.19 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.14 131.68 53.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.475 HG21 ' CD2' ' A' ' 21' ' ' PHE . 72.1 mt -117.42 145.46 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.436 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.2 pttt -133.3 112.56 11.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.3 110.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.4 mm -72.22 -69.15 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.2 159.68 42.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -127.82 111.81 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.0 tttt -108.63 144.11 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 8.2 tttt -112.81 148.07 35.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -139.46 95.14 9.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.9 20.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.821 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.9 mt -68.29 -63.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.01 -15.0 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 72.76 45.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -136.56 -172.36 3.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -145.67 119.72 9.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.6 115.34 27.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.55 134.43 55.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 2.1 m-20 -118.37 139.29 51.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.475 ' CD2' HG21 ' A' ' 3' ' ' ILE . 35.5 p90 -156.5 169.91 23.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 65' ' ' LYS . 32.1 mm -120.77 134.25 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -102.81 121.47 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -117.88 151.68 36.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 6.9 p90 -163.21 171.8 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -130.96 57.88 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.72 -142.1 8.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.59 139.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -74.56 141.02 75.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 148.53 35.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 m -90.33 166.86 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.59 -43.06 95.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -66.76 -25.8 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.92 -46.42 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.97 -41.65 81.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -57.67 -53.95 52.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.503 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.8 m-20 -56.78 -38.77 72.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -63.45 -53.17 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -60.29 -53.9 52.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.45 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -36.4 60.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.448 ' CB ' HD22 ' A' ' 43' ' ' LEU . 80.6 mtp -68.27 -46.04 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -92.88 7.69 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.4 p30 41.82 37.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.86 164.57 14.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.5 Cg_endo -75.03 143.46 29.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.58 -50.11 54.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.5 pm0 -45.3 -37.19 4.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.508 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 32.9 mt -83.52 -29.18 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.42 125.2 30.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -129.74 161.62 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.41 HG12 ' NE ' ' A' ' 36' ' ' ARG . 13.0 mm -118.9 130.01 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -72.22 -62.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.46 124.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.5 mt -90.78 144.11 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -125.05 115.48 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.9 m -127.01 132.77 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 6.4 ptpp? -117.52 144.84 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.02 140.07 6.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.505 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.53 132.56 34.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 111.015 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.52 154.14 26.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.87 112.85 19.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' ARG . 15.7 tp -99.36 123.39 43.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.523 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.9 m-85 -106.82 163.75 12.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.21 -36.61 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -131.76 163.91 27.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -42.22 17.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -51.05 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -53.01 60.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.523 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.7 tmm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.504 0.193 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.02 124.24 46.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 5.2 mt -108.2 144.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.28 112.55 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.467 HD12 ' CE ' ' A' ' 42' ' ' MET . 5.8 mt -65.72 113.82 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.0 mm -76.49 -70.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -148.52 153.61 38.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' OD2' ' NH2' ' A' ' 17' ' ' ARG . 2.5 t0 -123.66 114.14 19.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 tttt -103.61 145.91 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -109.59 148.55 31.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -151.69 95.84 3.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.77 20.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.6 mt -65.51 -63.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.5 mt -78.63 -5.85 54.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.9 32.58 15.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.8 ptt180 -124.68 -174.58 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -146.09 119.92 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.62 133.65 55.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.549 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 8.1 m-20 -112.98 138.25 50.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CE2' HD22 ' A' ' 39' ' ' LEU . 49.2 p90 -153.15 172.36 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 11.8 mm -129.95 128.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 18.9 t -102.42 114.95 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 63' ' ' GLU . 5.7 mttm -113.47 147.4 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 6.1 p90 -158.64 160.46 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -102.92 68.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.8 165.18 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 t 57.76 160.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -120.2 119.59 30.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.38 28.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.6 m -83.76 174.82 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 8.7 mpt_? -68.55 -41.2 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -61.16 -40.56 94.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -50.42 64.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -62.24 -38.47 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.39 -50.28 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.6 m-20 -54.5 -41.57 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.5 tttp -61.27 -53.17 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.437 HD22 ' CE2' ' A' ' 21' ' ' PHE . 0.6 OUTLIER -60.6 -53.92 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.45 -37.63 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.64 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.467 ' CE ' HD12 ' A' ' 5' ' ' ILE . 61.9 mtp -68.07 -47.42 68.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.04 5.37 46.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 43.89 37.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.37 163.36 17.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 129.82 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -53.25 -52.13 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.64 -53.21 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.481 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 21.0 mt -64.44 -28.14 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.36 138.38 34.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.38 156.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mm -117.19 122.16 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -65.46 -53.33 44.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 175.49 127.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 32' ' ' ARG . 15.3 mt -90.11 144.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 55' ' ' ILE . 1.8 mtmt -125.09 113.44 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.389 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.571 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.6 m -153.07 146.47 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -119.53 163.58 17.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.66 139.91 4.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.35 130.22 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -109.05 154.45 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -120.5 112.72 19.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' ARG . 7.1 tp -98.48 126.02 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 46.9 m-85 -112.77 154.61 25.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -76.88 -34.67 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.87 164.77 29.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.77 -35.18 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.62 -51.97 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -47.4 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.423 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 25.3 ttp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.529 0.204 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.06 130.91 56.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.59 143.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.407 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -134.39 109.61 8.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 mt -60.57 112.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' ASP . 10.4 mm -74.96 -74.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.66 160.55 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -127.9 111.61 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.3 tttp -111.13 143.28 42.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.8 tttt -113.73 147.35 38.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -141.59 93.77 7.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.42 20.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -63.39 -60.02 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 82.3 mt -82.39 -20.11 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.3 t-20 82.03 33.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -124.47 -173.98 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.71 124.57 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -95.71 110.41 22.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.34 134.76 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.513 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 7.3 m-20 -117.2 140.23 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.539 ' CE1' HD12 ' A' ' 39' ' ' LEU . 51.6 p90 -154.84 161.09 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 65' ' ' LYS . 31.2 mm -113.7 134.41 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 10.8 t -102.55 125.68 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -126.46 144.21 50.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 6.9 p90 -161.99 175.31 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.1 85.18 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -141.31 12.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -51.51 159.43 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.783 . . . . 0.0 110.013 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.445 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -84.45 145.84 46.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 161.37 38.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 m -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -45.83 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -61.28 -39.89 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -46.67 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.85 -37.4 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.425 ' HG3' ' CG1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -64.46 -53.26 51.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.8 m-20 -56.41 -37.64 70.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -51.65 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.539 HD12 ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -61.81 -53.08 60.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.78 -36.75 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.42 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.422 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -68.32 -47.21 68.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.23 5.82 43.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 43.43 38.1 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.93 166.64 10.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 150.7 38.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -74.07 -49.21 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -46.84 -39.24 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 29.8 mt -79.86 -27.54 40.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.5 tp -82.74 135.79 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -138.71 161.47 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.425 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 8.3 mm -120.33 125.95 74.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -69.84 -58.5 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.87 126.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -92.01 142.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.02 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m -116.14 131.01 57.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 5.5 ptpp? -120.69 140.08 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 138.88 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -84.42 138.29 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.61 154.45 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -119.97 114.71 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.01 123.69 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.512 ' CE2' ' HG3' ' A' ' 77' ' ' MET . 23.7 m-85 -109.15 151.14 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -88.62 -31.04 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.72 135.14 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.88 93.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -49.68 -50.97 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -56.36 -53.47 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.512 ' HG3' ' CE2' ' A' ' 71' ' ' TYR . 3.2 tmm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.85 139.5 50.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.456 HG22 ' CE ' ' A' ' 42' ' ' MET . 67.3 mt -127.05 143.79 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 7.8 ptpt -131.89 115.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.79 105.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -67.54 -69.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 160.68 42.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.24 108.31 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 3.9 tttm -95.26 148.14 22.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.49 146.92 37.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -149.24 92.4 4.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.95 -64.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' A' ' 16' ' ' ARG . 14.9 mt -76.71 -21.53 55.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 79.75 32.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' CZ ' HD11 ' A' ' 14' ' ' LEU . 34.6 ptt180 -122.99 -170.52 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -150.4 120.48 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.82 101.92 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.08 134.21 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.14 142.53 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 22.1 p90 -158.98 169.86 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 19.7 mm -120.53 133.5 67.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -103.01 128.01 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -125.57 148.34 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -161.68 173.44 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -129.95 71.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.3 -148.87 20.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.55 134.6 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -63.55 146.59 96.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.3 Cg_endo -75.06 161.34 38.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -97.06 141.89 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.94 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -47.23 -35.12 7.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -68.55 -40.14 80.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -44.06 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.03 -41.23 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -52.66 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -58.53 -36.35 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 3.4 tttp -64.64 -53.02 54.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -53.54 56.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.75 -37.08 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.17 -37.61 61.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.456 ' CE ' HG22 ' A' ' 3' ' ' ILE . 32.1 mtp -66.54 -47.29 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.24 5.82 47.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 44.2 38.63 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.82 166.7 10.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 146.8 33.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.54 -49.59 39.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.22 -39.43 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.495 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -79.4 -28.24 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.65 129.54 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.073 . . . . 0.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.11 157.4 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mm -118.66 125.24 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -66.9 -56.86 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.48 130.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 56' ' ' LYS . 26.1 mt -91.45 142.23 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' N ' HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -125.04 117.47 24.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 m -92.61 137.6 32.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -84.22 176.83 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' A' ' 61' ' ' MET . 20.7 m-85 -93.53 115.97 28.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 40.36 47.16 3.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' GLN . 1.2 mtm -123.62 4.48 8.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' MET . 7.5 mm100 38.11 57.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -164.24 132.15 3.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.5 m -134.11 136.53 43.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.09 154.6 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -168.51 128.82 1.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.24 155.62 22.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -121.04 112.92 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' ARG . 8.7 tp -99.3 125.3 44.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -113.12 157.46 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.04 -23.82 24.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -153.68 153.72 32.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.62 -36.96 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -48.97 -36.5 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 2.4 mmt180 -74.73 -47.49 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.3 ttp -51.71 -35.51 43.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -70.27 -58.54 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -55.86 -40.56 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 97.3 t -60.47 -48.18 89.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -6.83 52.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.99 -2.61 55.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.41 -30.86 47.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.32 25.5 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.1 t -115.94 -0.25 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.54 80.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -128.1 147.31 50.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -115.5 171.62 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -162.45 39.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -164.66 155.52 14.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.453 ' CG2' ' HD2' ' A' ' 92' ' ' PRO . 1.5 p -57.26 142.31 75.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 91' ' ' VAL . 18.1 Cg_endo -75.04 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.94 -127.54 0.1 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.6 t -143.44 -137.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 0.81 . . . . 0.0 109.951 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -168.99 136.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 179.18 132.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -157.25 144.63 18.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.63 152.35 6.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -138.72 -150.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.259 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.7 tt0 175.91 155.28 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.514 0.197 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.42 130.36 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 44.3 mt -116.02 138.93 44.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 4.2 ptpt -129.72 110.86 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.14 112.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.32 -69.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -147.41 157.43 43.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.18 114.28 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -104.5 139.31 39.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 134.25 47.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -142.4 85.84 10.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -15.34 20.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt -61.17 -56.96 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.79 2.26 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 m120 58.77 44.96 16.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 34.2 ptt180 -139.35 -169.04 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.57 124.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -94.86 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.36 134.3 55.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 27.2 m-20 -114.65 141.16 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -156.86 167.75 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 134.14 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.2 t -102.87 124.29 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -124.71 149.43 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -171.51 171.82 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.61 90.89 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.18 -144.4 16.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.23 139.3 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 2.7 m -77.29 139.34 64.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.03 157.26 42.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.88 161.4 13.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -58.86 -31.7 68.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -67.12 -52.24 44.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -55.79 -50.34 70.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.81 -38.11 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' CD ' HD21 ' A' ' 47' ' ' LEU . 7.1 mtt180 -60.68 -53.17 60.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -59.46 -36.53 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 6.4 tttp -61.26 -51.08 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -53.46 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.98 -36.46 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.99 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.421 ' CE ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -67.03 -47.18 72.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.82 3.58 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 45.41 39.97 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.473 ' CB ' HD11 ' A' ' 70' ' ' LEU . . . -109.98 166.06 11.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.05 131.91 14.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -56.08 -51.34 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.28 -51.04 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 25.7 mt -66.92 -27.19 67.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.52 137.1 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.34 158.24 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -118.68 127.46 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -68.37 -69.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -166.97 123.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.2 mt -87.99 141.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -125.0 111.44 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 m -91.88 137.41 32.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -97.31 -177.61 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 104.91 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.58 -13.3 8.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.447 1.092 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' GLN . 19.5 ptp -124.93 1.46 8.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 61' ' ' MET . 25.3 mm100 37.11 60.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.94 138.79 32.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 23' ' ' VAL . 24.4 m -127.19 130.71 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -115.68 147.4 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.01 136.83 4.28 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -85.47 142.08 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -119.94 153.99 35.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -119.21 112.88 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD11 ' CB ' ' A' ' 45' ' ' ALA . 14.1 tp -99.53 123.13 43.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 68.9 m-85 -112.81 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.44 -36.15 10.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 76' ' ' ARG . 19.1 m-20 -131.02 156.52 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 -38.62 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.03 -47.7 77.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.99 -50.86 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.1 ttp -50.92 -35.32 32.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -69.38 -58.99 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -34.15 69.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 89.5 t -65.8 -47.62 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -6.8 35.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.6 tt0 -81.68 -0.97 45.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -30.8 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.89 27.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.0 t -112.74 -140.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.1 97.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 85' ' ' VAL . 1.6 pttt -124.28 164.25 19.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -102.47 178.21 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -149.84 53.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -166.09 121.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 p -46.52 122.7 6.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.88 39.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.83 -128.24 0.19 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.5 t 171.58 118.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -144.2 143.17 30.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.7 p -119.5 -143.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.41 135.45 8.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.94 104.16 1.82 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -174.22 139.76 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.16 153.98 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.27 134.4 54.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 44.1 mt -122.52 133.53 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.29 108.46 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.93 117.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.8 mm -81.54 -71.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -145.28 152.13 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -123.78 113.25 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttm -100.87 148.75 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.97 144.21 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -147.77 89.87 5.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.37 20.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.45 -64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 11.3 mt -74.7 -21.68 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.9 t-20 80.84 40.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 14' ' ' LEU . 32.8 ptt180 -133.63 -166.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -154.47 118.61 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.54 105.64 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.33 135.11 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 15.3 m-20 -114.82 138.22 51.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CE2' ' CG1' ' A' ' 35' ' ' VAL . 54.6 p90 -153.09 164.17 38.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 mm -116.53 133.76 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.22 123.02 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -123.42 146.43 48.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 8.2 p90 -163.47 169.74 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -124.83 75.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.33 -142.06 9.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -50.28 159.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 3.0 m -86.96 144.93 37.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 150.65 38.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 m -86.7 156.42 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -58.34 -32.14 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -74.86 -27.81 60.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.8 -53.65 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG1' ' CE2' ' A' ' 21' ' ' PHE . 69.8 t -59.94 -40.14 82.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -50.0 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.5 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.5 m-20 -62.66 -35.33 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.1 tttp -65.54 -51.43 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -63.34 -53.63 49.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -48.89 -37.84 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.83 62.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 74.0 mtp -67.77 -47.25 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.51 7.57 35.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER 42.16 38.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.87 166.42 10.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 146.06 32.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.4 -48.33 50.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.47 -37.24 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.496 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 35.2 mt -83.22 -27.37 30.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.64 135.17 35.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.8 t -137.83 161.97 32.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.3 mm -119.63 128.47 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -71.63 -62.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -174.99 121.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.2 mt -87.35 139.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -124.59 114.77 19.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -85.31 131.39 34.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.67 160.85 14.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -116.64 100.53 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.58 -27.52 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -148.56 24.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 0.795 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.542 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER 36.26 51.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -111.05 123.78 50.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.8 m -112.48 130.3 56.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -117.79 139.85 50.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.49 138.64 5.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.435 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.8 m-85 -86.49 125.08 33.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.04 156.76 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -122.29 113.05 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' ARG . 10.7 tp -99.73 123.89 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -112.95 161.74 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.74 -36.25 14.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -138.0 145.34 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.43 -41.4 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -36.58 26.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 1.6 mmt180 -70.21 -50.79 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.0 ttp -50.98 -38.46 51.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -64.24 -60.28 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -57.19 -36.05 70.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 99.1 t -64.12 -50.43 76.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -74.87 -6.69 50.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -78.62 -4.86 50.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -84.16 -30.28 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.423 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 1.6 t80 -89.67 27.32 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.2 t -115.69 -138.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.69 84.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -92.81 152.46 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.89 174.19 13.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -162.3 49.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.14 127.53 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.47 114.39 49.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -166.29 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.91 -123.16 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t 168.9 121.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.783 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -171.67 143.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.1 p -102.23 -142.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.365 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -153.64 164.53 38.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.12 123.51 2.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -174.39 139.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.55 171.68 7.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.522 0.201 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.39 133.16 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.439 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 46.3 mt -121.79 139.77 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -129.76 106.48 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.75 113.44 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ASP . 7.9 mm -76.23 -73.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.56 153.86 42.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -123.85 113.81 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.5 tttp -100.78 146.83 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 7.7 tttt -113.65 148.69 35.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -153.82 93.84 2.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.32 20.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.16 -63.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 85.9 mt -79.3 -17.91 53.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 5.2 t-20 76.06 43.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -131.55 -168.36 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -156.4 115.59 3.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -89.63 110.6 21.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.27 134.53 54.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 3.9 m-20 -114.39 141.12 48.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -158.43 163.79 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.454 ' CG2' ' HG3' ' A' ' 63' ' ' GLU . 48.7 mm -115.65 134.28 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 t -102.83 125.18 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -124.95 145.07 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -160.63 177.06 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.78 81.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.85 -147.22 18.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.54 144.1 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.9 m -67.98 146.31 98.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.04 167.13 27.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 m -101.96 149.62 24.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.27 -46.13 72.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -62.22 -32.44 73.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.28 -42.94 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.03 -41.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -61.92 -46.68 88.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.1 m-20 -61.76 -29.67 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 5.4 tttp -70.65 -52.69 19.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -53.49 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.41 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.52 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -47.28 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.69 5.58 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 44.64 38.44 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.28 166.01 11.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 145.85 32.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -70.53 -50.3 39.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -38.71 6.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.499 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 28.7 mt -80.9 -29.73 35.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.44 124.37 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 2.6 t -127.84 159.72 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mm -119.06 129.14 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -71.41 -65.91 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.73 127.68 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.8 mt -92.15 143.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 114.52 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.1 m -83.41 132.29 34.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -99.88 169.27 9.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.0 111.48 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.86 -31.06 1.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' GLN . 2.2 ptt? -142.29 23.34 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 0.778 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER 36.4 58.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm-20 -122.0 132.26 54.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.3 m -119.19 134.62 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 6.0 ptpp? -120.08 143.16 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.97 139.69 6.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.9 136.13 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.65 157.0 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -121.37 113.04 19.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' ARG . 9.3 tp -99.71 125.65 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -113.52 156.1 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.33 -22.15 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.62 157.07 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' N ' HD21 ' A' ' 49' ' ' LEU . . . -82.8 -37.39 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.18 -48.37 73.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.79 -50.74 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.8 ttp -50.94 -36.8 40.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -67.7 -58.31 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -58.59 -31.88 68.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 85.1 t -69.34 -55.31 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -6.88 34.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.401 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 42.4 tt0 -93.65 -3.52 52.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.22 -37.54 57.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.21 26.86 2.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.5 t -120.89 -135.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.55 76.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -82.5 155.33 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.41 -177.13 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -109.9 46.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -165.97 177.38 7.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.1 t -72.61 121.19 84.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -177.46 3.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.587 1.835 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.86 -74.82 1.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t 74.41 118.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.771 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.34 138.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 97' ' ' GLU . 8.8 t -133.57 -144.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.478 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.463 ' N ' ' OG1' ' A' ' 96' ' ' THR . 17.2 pt-20 -173.57 177.14 2.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.87 -174.01 13.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -173.88 139.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 2.7 pt-20 -99.58 131.57 45.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HE3' ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.468 0.175 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.98 142.43 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 51.4 mt -127.28 145.45 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.402 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmt -135.72 111.33 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.21 112.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.31 -70.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -148.42 154.8 40.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -124.34 111.18 15.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -102.22 148.1 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -114.83 148.75 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -147.91 95.94 4.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.69 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 50.4 mt -79.31 -23.5 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 81.84 40.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 36.0 ptt180 -128.1 -171.0 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.58 115.32 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 16' ' ' ARG . 33.2 mm-40 -88.18 103.36 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.09 133.91 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 8.6 m-20 -115.54 140.54 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 52.9 p90 -157.26 165.58 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 31.6 mm -119.86 133.92 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -102.92 125.9 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -122.1 146.4 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.8 p90 -160.56 179.35 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.64 68.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.08 -149.77 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.41 131.25 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.493 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 1.2 t -55.33 147.42 37.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.0 173.79 13.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.5 m -105.93 150.8 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -51.54 -38.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.19 -49.59 71.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.24 -49.34 76.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.411 ' N ' ' HE3' ' A' ' 1' ' ' MET . 74.7 t -65.7 -35.28 74.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.37 -53.09 48.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -57.87 -29.35 64.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.9 tttp -69.78 -52.64 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -60.8 -53.56 55.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.95 -36.79 18.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.19 -37.75 61.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.27 -47.27 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.23 6.88 40.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.2 p30 42.23 38.23 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.27 165.89 11.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -65.81 -50.16 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -44.57 -40.26 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 30.6 mt -80.66 -30.51 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -82.74 113.72 20.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.7 t -119.23 165.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG12 ' NE ' ' A' ' 36' ' ' ARG . 2.9 mm -120.32 132.29 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.85 -52.91 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.8 125.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.6 mt -91.26 142.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 114.09 18.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.9 m -90.1 138.72 31.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -112.96 169.17 9.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -126.14 109.52 12.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.88 -34.73 0.67 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' GLN . 8.3 ptt? -139.06 24.13 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 0.723 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER 36.56 57.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -119.64 139.16 52.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.3 m -131.5 130.81 42.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -117.26 151.93 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -170.9 128.1 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -80.65 134.55 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.6 154.43 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -118.41 112.89 20.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.5 tp -100.08 123.47 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.3 m-85 -105.06 152.18 23.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.5 -30.87 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -143.41 158.96 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.14 -40.93 29.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -50.9 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.535 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.83 -53.18 58.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.514 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.8 tmm? -49.06 -52.99 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -53.95 -50.37 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.18 -34.29 77.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 57.7 t -66.39 -44.58 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -6.91 52.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.54 -1.02 44.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -84.65 -35.13 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.72 25.82 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.543 ' CG1' ' N ' ' A' ' 86' ' ' LEU . 2.4 p -84.06 -148.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.543 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 4.1 mt -39.76 115.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -137.91 150.49 47.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.71 -172.67 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -148.52 49.49 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.01 128.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 74.1 t -74.24 143.03 79.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 18.4 Cg_endo -74.96 -174.86 2.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.98 -79.05 1.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.6 t 71.22 122.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -177.21 163.66 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.4 p -125.37 -143.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.16 134.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.61 139.21 5.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.09 -151.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -178.3 127.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.43 138.09 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 mt -124.08 130.72 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.438 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 1.9 ptmt -124.21 113.33 18.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -64.39 117.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' CG1' HG12 ' A' ' 22' ' ' ILE . 3.5 mm -79.67 -68.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -148.34 153.15 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.72 113.9 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.3 tttp -100.12 147.15 25.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.96 144.12 32.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -153.06 82.33 4.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.81 18.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.2 mt -60.35 -57.81 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.2 mt -84.6 2.01 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' ND2' ' NH1' ' A' ' 76' ' ' ARG . 30.8 m120 57.72 46.61 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -140.75 -169.9 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -154.23 125.27 7.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.51 107.63 20.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.67 136.78 52.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.541 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 10.1 m-20 -116.34 137.15 52.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.503 ' CD1' HD12 ' A' ' 39' ' ' LEU . 46.5 p90 -151.0 165.73 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.438 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 30.2 mm -118.46 133.9 63.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.0 123.25 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -121.94 148.07 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.06 172.68 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.76 63.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.71 -140.83 7.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -48.73 160.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.41 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -86.78 145.11 38.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.5 Cg_endo -74.97 158.64 42.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.82 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.4 m -98.71 150.25 22.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -49.19 -42.31 39.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -63.73 -43.25 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.5 -46.39 90.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.25 -37.33 75.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 1.7 mtt85 -63.08 -53.05 59.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.4 m-20 -58.92 -40.06 83.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.74 -52.35 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD12 ' CD1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -61.92 -51.98 65.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -36.3 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -39.96 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.2 mtp -66.44 -47.07 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.79 6.32 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.2 p30 42.33 38.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.1 162.9 18.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 134.82 18.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.5 OUTLIER -59.19 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -46.06 -45.6 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 46.5 mt -75.16 -25.26 58.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.55 137.93 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.8 t -138.92 156.47 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.0 mm -116.67 123.55 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -65.41 -59.42 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.42 127.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.7 mt -90.52 141.53 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.17 115.0 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.4 m -93.57 138.47 31.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -82.93 -175.28 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -106.01 110.12 22.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.37 41.68 72.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -125.17 1.87 7.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 111.046 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' MET . 17.4 mm100 37.13 55.15 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -153.24 125.56 8.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.5 m -123.42 131.14 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -119.27 141.84 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.79 136.94 4.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.1 m-85 -82.34 144.34 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.05 154.57 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -118.44 112.99 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 17' ' ' ARG . 12.6 tp -101.27 124.01 46.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' N ' HD13 ' A' ' 70' ' ' LEU . 34.1 m-85 -109.66 162.86 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.29 -32.02 18.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.04 163.28 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' N ' HD23 ' A' ' 49' ' ' LEU . . . -80.15 -36.72 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -51.41 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.77 -48.94 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.5 ttp -51.21 -35.57 37.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -70.32 -59.94 2.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -55.41 -28.98 57.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 98.7 t -75.72 -54.92 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -6.81 35.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -82.9 -3.22 56.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -81.65 -32.82 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.23 26.35 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 86' ' ' LEU . 1.9 p -91.16 -150.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.54 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.1 pp -55.39 99.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -109.41 154.45 22.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' C ' ' CG ' ' A' ' 89' ' ' ASN . 11.7 ttm180 -109.07 162.15 14.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' CG ' ' C ' ' A' ' 88' ' ' ARG . 2.5 m-80 -163.77 50.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -169.39 158.63 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.8 t -78.12 132.54 66.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -169.18 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.69 -122.72 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t 167.6 125.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.84 117.99 32.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 12.9 t -111.18 -144.12 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.4 ' N ' ' CG2' ' A' ' 96' ' ' THR . 0.9 OUTLIER 172.78 99.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.99 58.14 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -105.24 102.58 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 178.79 131.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.448 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.521 0.201 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.76 144.31 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 8.5 mt -132.64 135.6 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.458 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.4 pttt -127.04 110.53 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.6 mt -62.26 109.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.2 mm -72.02 -73.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -144.89 155.6 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.96 112.85 17.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.8 tttp -103.94 146.5 28.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -112.37 148.99 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -146.32 96.62 4.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.1 18.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.08 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 36.8 mt -78.99 -17.01 56.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 74.82 28.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -118.46 -176.84 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -144.07 118.22 9.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -90.51 110.12 21.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.31 134.52 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' ILE . 10.4 m-20 -114.11 140.63 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' CE1' HD13 ' A' ' 39' ' ' LEU . 41.5 p90 -158.6 160.61 36.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.488 ' CG2' ' CG ' ' A' ' 63' ' ' GLU . 28.1 mm -113.67 133.16 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -103.0 126.49 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -126.67 147.25 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 6.4 p90 -161.14 167.35 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -126.85 40.85 3.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.12 -144.17 3.88 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.33 157.37 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -68.66 125.99 92.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.63 32.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -80.46 169.13 18.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -67.92 -33.71 75.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -66.76 -42.23 86.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -50.53 69.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.82 -34.94 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -53.08 49.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.73 -23.81 31.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.3 tttp -76.58 -50.81 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD13 ' CE1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -64.02 -53.18 54.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.71 -36.38 16.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.05 -37.36 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -47.23 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.19 3.18 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 45.3 39.17 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.31 163.39 17.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 126.91 10.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -52.72 -48.35 66.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.32 -47.04 18.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 38.3 mt -73.12 -25.11 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -82.6 137.85 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -138.75 158.92 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -119.15 125.91 74.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.32 -65.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -172.89 121.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mt -86.88 140.85 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.87 115.23 20.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -86.3 130.97 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -98.44 167.17 10.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -120.89 106.06 11.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.45 -31.52 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.83 26.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 111.018 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 36.33 51.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -110.72 121.53 45.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 m -111.0 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -118.27 143.29 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.11 139.75 6.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 9.1 m-85 -89.0 126.08 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.11 155.54 18.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -119.21 113.0 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 17' ' ' ARG . 12.2 tp -98.89 122.91 42.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' N ' HD13 ' A' ' 70' ' ' LEU . 32.3 m-85 -109.61 156.47 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.16 -22.11 25.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.92 160.35 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' N ' HD22 ' A' ' 49' ' ' LEU . . . -82.63 -29.37 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -46.76 84.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.497 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 14.5 mmt-85 -62.49 -45.09 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 ttp -50.97 -37.15 42.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -69.92 -58.18 4.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.55 -31.36 64.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 97.3 t -71.8 -49.03 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.59 -6.8 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -75.82 -1.98 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.22 -28.38 22.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 26.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.3 t -114.3 -136.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.72 84.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' VAL . 26.6 pttt -89.15 155.03 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.32 -175.54 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -148.45 46.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -170.36 124.57 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 91' ' ' VAL . 0.5 OUTLIER -55.16 121.15 34.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.92 -133.51 7.8 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t 171.11 124.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -156.21 154.18 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 97' ' ' GLU . 11.5 t -129.23 -143.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.1 OUTLIER 174.21 172.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.69 126.75 3.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.4 -151.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -112.45 130.84 55.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.435 0.16 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.05 142.64 46.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 37.5 mt -125.79 148.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 7.5 ptpt -134.61 114.3 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.83 108.59 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.4 mm -71.32 -69.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -147.96 156.08 42.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -125.34 111.46 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 tttp -102.62 144.16 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.1 tttt -111.93 149.1 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -153.26 96.25 2.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.5 20.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.97 -62.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 26.1 mt -76.99 -17.88 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 75.54 33.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 13.3 ptp180 -129.14 -174.31 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -145.58 121.72 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -91.76 106.68 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.56 134.42 53.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 7.2 m-20 -116.01 139.4 50.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.55 ' CD2' HD12 ' A' ' 39' ' ' LEU . 47.7 p90 -156.82 173.01 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.4 mm -127.97 133.27 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 3.3 t -102.85 124.35 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -122.59 149.81 43.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 62' ' ' GLN . 2.4 p90 -160.09 168.35 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.01 55.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.56 161.34 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t 62.37 161.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -117.18 118.87 35.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.87 25.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.4 m -86.31 172.76 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -65.73 -42.51 90.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -66.25 -29.77 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -41.91 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.0 t -71.96 -46.43 59.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HG3' ' CD1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -51.62 -52.91 43.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.497 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.7 m-20 -52.96 -31.59 41.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 1.3 tttt -71.64 -52.04 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -62.66 -53.05 60.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -35.8 14.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.09 61.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.73 -47.36 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.71 5.67 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 43.09 37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.08 165.9 11.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.497 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.96 -50.73 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.27 -40.39 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.503 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 29.7 mt -78.89 -29.39 44.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -82.51 124.5 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG13 ' NH2' ' A' ' 36' ' ' ARG . 1.6 t -127.49 152.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.448 ' CD1' ' HG3' ' A' ' 36' ' ' ARG . 6.7 mm -105.49 122.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.02 -55.96 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.75 120.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.6 mt -89.48 141.22 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -123.45 114.01 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.6 m -91.93 138.17 31.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -81.4 -173.6 4.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -103.69 103.23 13.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.2 40.92 68.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER -119.52 5.27 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.501 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 20.1 mm100 38.13 58.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -156.3 128.98 7.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -129.21 126.89 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -117.82 146.71 43.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.3 142.52 7.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 5.6 m-85 -90.48 127.85 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.62 153.44 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -115.71 112.84 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 17' ' ' ARG . 10.3 tp -99.36 124.17 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.2 m-85 -113.77 157.43 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -82.4 -28.0 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.27 154.11 39.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.61 54.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.92 -48.93 42.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.499 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 2.3 mmt180 -60.16 -49.46 77.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.5 ttp -50.94 -38.77 52.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -63.11 -61.1 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.83 -36.67 70.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 97.4 t -62.91 -48.76 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.74 -6.86 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -3.23 50.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.07 -33.25 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.79 25.98 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.45 -0.8 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.02 80.27 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -131.3 147.71 52.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.07 171.62 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -163.84 45.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.53 130.47 10.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 t -88.13 118.78 69.98 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.97 -133.18 5.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.6 t 169.96 125.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -152.43 155.06 36.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.22 130.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 176.99 108.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -130.51 84.17 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -137.35 -151.76 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 178.68 150.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.557 0.217 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.42 128.8 55.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.487 ' CG2' ' CE ' ' A' ' 42' ' ' MET . 11.6 mt -112.41 145.2 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -136.38 107.57 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.76 113.94 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.7 mm -76.35 -70.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.02 160.72 41.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -131.41 111.2 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 13.5 tttt -100.14 145.67 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.34 148.83 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -150.41 96.29 3.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 mt -63.66 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD11 ' CZ ' ' A' ' 16' ' ' ARG . 55.9 mt -78.36 -13.91 59.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 70.87 41.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.451 ' CZ ' HD11 ' A' ' 14' ' ' LEU . 33.2 ptt180 -128.97 -170.4 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.2 ttp180 -153.1 113.42 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.98 107.23 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.46 134.67 52.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' ILE . 23.0 m-20 -115.28 140.26 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CD2' HD11 ' A' ' 39' ' ' LEU . 19.9 p90 -156.4 168.29 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.433 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 18.3 mm -124.21 131.47 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -103.21 124.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -121.7 148.29 44.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.463 ' CE1' ' CD ' ' A' ' 30' ' ' PRO . 21.0 p90 -167.18 167.63 14.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.29 67.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.67 -141.82 7.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -52.14 152.84 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -80.92 137.85 50.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' CD ' ' CE1' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -75.03 146.53 32.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -94.0 148.27 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -34.35 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -64.12 -49.82 70.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.91 -55.64 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.97 -35.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.47 ' HG3' ' CG1' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -63.12 -53.92 45.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.48 -42.71 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 13.0 tttm -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -58.14 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.2 -37.34 22.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.28 -38.12 60.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.487 ' CE ' ' CG2' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -67.32 -47.62 70.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.553 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.84 5.4 48.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 42.74 37.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.54 166.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -74.96 120.62 6.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -46.86 -50.39 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.11 -54.57 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.486 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 47.2 mt -64.68 -25.81 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.47 136.12 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.11 158.73 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 12.7 mm -118.31 126.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -176.03 123.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' CD1' ' HA3' ' A' ' 66' ' ' GLY . 1.6 mm -84.41 143.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.7 110.9 14.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -89.22 138.92 31.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -96.56 -174.19 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.6 102.11 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.23 -6.93 10.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLN . 10.7 ptp -131.08 4.74 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' MET . 22.1 mm100 37.62 48.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.231 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.0 140.9 51.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.2 m -134.09 130.94 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 151.68 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' ' 55' ' ' ILE . . . -162.44 126.21 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.65 120.79 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.69 154.78 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -120.52 112.68 19.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' ARG . 9.3 tp -96.87 124.75 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -110.95 158.39 18.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.23 -30.28 21.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.06 160.71 40.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.39 -40.63 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.05 -45.61 52.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.489 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 2.4 mmt180 -61.58 -50.71 71.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 ttp -50.81 -35.45 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.91 -60.48 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -52.12 -38.25 56.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 57.3 t -64.14 -51.98 61.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -7.18 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.432 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 14.7 tp60 -85.19 -1.36 56.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -89.97 -29.77 18.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -89.5 23.98 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 82' ' ' GLN . 2.6 t -102.11 -135.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mt -41.01 104.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -135.54 154.03 51.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.43 176.24 8.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -148.99 49.26 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -165.61 123.72 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.401 ' CG2' ' HD2' ' A' ' 92' ' ' PRO . 1.6 p -53.09 140.73 41.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 91' ' ' VAL . 18.3 Cg_endo -75.04 -175.37 2.33 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.98 -131.64 7.43 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t 170.55 123.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 0.802 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.81 -168.77 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.25 132.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.65 156.24 17.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.01 91.13 0.87 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.24 -150.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.258 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 17.7 tt0 -178.66 142.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HE1' ' CB ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.474 0.178 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.04 134.94 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.461 HD13 ' CE ' ' A' ' 1' ' ' MET . 10.3 mt -115.0 141.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 0.6 OUTLIER -131.63 105.67 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -58.3 116.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -80.0 -69.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -147.28 156.2 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 114.65 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -103.99 141.92 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -105.56 136.64 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -140.19 85.84 13.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.21 20.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 15.4 mt -75.69 -16.66 60.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 t-20 79.44 38.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 34.2 ptt180 -131.41 -170.2 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.87 121.84 7.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 16' ' ' ARG . 6.0 mm-40 -93.22 110.18 21.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.78 134.96 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.52 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 9.0 m-20 -115.59 138.67 50.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CE1' HD11 ' A' ' 39' ' ' LEU . 53.9 p90 -156.02 164.41 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 65' ' ' LYS . 31.0 mm -118.06 134.2 62.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.8 124.09 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -119.62 146.51 45.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.5 p90 -158.71 171.53 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.98 58.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.47 -141.77 7.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -46.81 139.89 5.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -71.22 143.77 88.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.82 43.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -95.85 167.83 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -66.7 -33.1 74.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 10.7 p30 -72.91 -36.64 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 48.1 m-20 -64.94 -44.74 88.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.43 ' CG1' ' CE2' ' A' ' 21' ' ' PHE . 70.9 t -69.89 -37.64 73.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -49.49 74.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.8 m-20 -62.9 -42.33 99.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' CB ' ' HE1' ' A' ' 1' ' ' MET . 0.1 OUTLIER -59.87 -50.07 75.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.515 HD11 ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -63.0 -53.66 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.76 -37.76 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.6 61.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 77.1 mtp -68.16 -47.33 68.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.43 8.06 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.6 p30 41.92 39.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.19 166.33 11.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.97 148.5 35.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -72.69 -49.52 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.33 -37.93 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.496 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 31.8 mt -81.92 -27.89 33.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.2 tp -82.47 134.32 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -138.65 159.29 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.8 mm -118.98 126.33 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.2 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -176.78 124.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 53.6 mt -87.79 140.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 113.61 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m -90.98 137.41 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.85 -176.53 6.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -100.72 110.18 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.68 40.97 26.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -118.86 3.58 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' MET . 13.5 mm100 38.03 60.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -160.85 127.81 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -127.0 128.64 46.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 4.6 ptpp? -116.95 146.54 42.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.84 141.98 7.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.08 125.63 35.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.81 154.69 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -120.23 112.95 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' ARG . 12.2 tp -100.54 123.19 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -110.95 165.66 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.2 -26.37 17.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.2 159.88 42.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.68 -40.44 20.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -49.55 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.79 -51.32 66.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.9 ttp -50.72 -40.08 53.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -65.64 -57.99 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.53 -28.99 64.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 97.3 t -74.09 -53.34 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -6.77 35.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.442 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.0 mt-30 -78.26 -0.91 30.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.61 -30.69 17.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.22 26.47 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 82' ' ' GLN . 2.4 t -106.45 -136.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 85' ' ' VAL . 4.0 mt -40.16 101.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.74 148.55 52.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.69 174.68 13.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -157.39 46.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -166.68 125.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.67 132.94 20.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -166.33 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.808 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.84 -125.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.2 t -147.71 -136.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.95 141.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.481 ' OG1' ' N ' ' A' ' 97' ' ' GLU . 10.2 t -122.61 -145.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' N ' ' OG1' ' A' ' 96' ' ' THR . 1.3 tm-20 -148.56 144.63 27.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.76 119.34 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -174.52 139.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -177.87 119.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.439 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.515 0.198 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.65 148.83 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.465 HG23 ' CE ' ' A' ' 42' ' ' MET . 5.1 mt -134.01 140.64 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 13.6 ptpt -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.71 107.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -68.97 -74.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -139.19 161.36 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' CG ' ' NH1' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -125.64 112.09 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 tttm -112.84 143.25 44.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -114.91 148.72 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -143.3 96.6 5.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.65 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.2 -64.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.73 -13.59 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 73.3 41.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 31.6 ptt180 -133.39 -172.59 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' NH1' ' CG ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -141.61 127.54 19.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.15 110.2 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.44 135.97 54.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 5.7 m-20 -118.0 143.22 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -160.11 166.36 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 6.7 mm -118.0 131.62 70.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.74 124.38 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -119.16 152.96 35.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.16 167.05 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.52 72.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.87 -142.03 8.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -56.84 151.08 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.4 m -74.39 139.59 75.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.06 166.84 28.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -97.88 166.89 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.58 82.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -67.24 -26.47 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.8 -53.69 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.62 -40.19 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -53.46 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.7 m-20 -54.21 -27.45 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 1.0 OUTLIER -73.48 -52.47 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -53.27 59.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.68 -36.12 15.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.56 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.465 ' CE ' HG23 ' A' ' 3' ' ' ILE . 9.5 mtm -69.13 -47.37 65.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.45 5.29 50.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER 42.16 37.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.46 162.8 18.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 127.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -53.13 -47.86 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 12.9 pt-20 -46.47 -44.29 17.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -76.44 -25.4 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -82.62 136.8 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.14 158.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 mm -119.86 125.2 74.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 177.08 127.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -88.4 136.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.58 113.41 24.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.4 m -102.12 134.1 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.45 ' C ' ' CE ' ' A' ' 61' ' ' MET . 4.3 mt-10 -107.5 -171.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.57 105.81 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.43 -2.33 6.14 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -133.48 6.58 3.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 111.003 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.514 ' C ' ' O ' ' A' ' 61' ' ' MET . 25.8 mm100 29.45 67.76 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.6 tm-20 -162.96 146.66 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.9 m -129.77 137.96 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 ptpp? -124.04 143.58 50.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.37 141.03 7.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -86.65 131.01 34.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -108.62 154.23 22.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -120.63 114.06 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.8 tp -100.74 124.4 46.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 58.2 m-85 -113.05 160.98 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -91.21 -33.73 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -136.46 156.35 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' N ' HD23 ' A' ' 49' ' ' LEU . . . -82.44 -40.01 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -49.17 54.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.496 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -57.31 -50.33 73.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.3 ttp -51.07 -38.6 52.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -63.93 -60.98 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -56.58 -33.05 65.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 97.9 t -68.79 -51.8 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.79 -6.81 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -93.9 -1.08 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.11 -38.31 57.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.17 27.3 9.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.537 ' CG1' ' N ' ' A' ' 86' ' ' LEU . 1.7 p -98.87 -150.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.537 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 3.3 pp -43.37 103.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -123.51 157.26 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -130.79 171.29 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -162.82 48.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.18 128.89 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 t -84.48 117.31 68.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.72 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.01 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.96 -123.03 0.16 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 t 168.75 125.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -137.41 136.87 38.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -173.84 129.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.55 171.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.84 94.9 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -174.35 139.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.04 155.02 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.48 0.181 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.93 144.37 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.462 HG22 ' CE ' ' A' ' 42' ' ' MET . 29.7 mt -132.21 136.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 8.9 ptpt -127.87 112.83 15.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.5 111.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.4 mm -71.98 -67.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -150.62 158.47 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.35 109.94 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttp -100.11 144.1 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -113.05 148.77 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -152.58 96.11 3.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -15.35 20.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.96 -59.01 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.98 -17.48 52.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.46 29.28 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 29.7 ptt180 -122.06 -170.96 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.13 120.05 7.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.452 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 67.1 mm-40 -91.73 104.08 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.41 134.08 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 27.6 m-20 -116.2 142.57 46.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.491 ' CD1' HD12 ' A' ' 39' ' ' LEU . 34.9 p90 -160.07 165.04 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.415 HD12 ' CB ' ' A' ' 65' ' ' LYS . 16.0 mm -116.58 132.54 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.423 HG12 ' CG ' ' A' ' 30' ' ' PRO . 17.0 t -103.24 120.72 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -115.95 145.57 42.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.91 174.84 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.17 70.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.86 -147.97 18.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.76 133.1 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.443 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -64.85 145.72 98.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.97 145.14 31.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -88.6 153.92 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.948 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -56.02 -37.08 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -73.69 -25.18 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -48.82 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.54 -42.84 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -57.67 -51.98 67.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -56.51 -32.76 65.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 10.0 tttm -71.1 -52.25 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -61.26 -53.77 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.64 -36.7 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.31 60.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.462 ' CE ' HG22 ' A' ' 3' ' ' ILE . 52.5 mtp -67.82 -47.32 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.85 6.31 42.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER 42.32 38.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.88 166.14 11.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 121.58 6.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -49.16 -48.86 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -45.35 -50.02 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 38.9 mt -68.91 -25.93 64.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.66 137.16 34.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.28 161.37 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.453 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 3.1 mm -121.0 128.03 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HB2' ' CE ' ' A' ' 69' ' ' LYS . 18.3 tt0 -71.54 -57.42 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.45 128.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.6 mt -92.12 141.13 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -123.55 110.85 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.0 m -88.56 139.27 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.442 ' HB2' ' CG ' ' A' ' 61' ' ' MET . 3.7 mm-40 -94.61 174.97 6.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -130.85 102.01 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.29 -9.47 10.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.442 ' CG ' ' HB2' ' A' ' 58' ' ' GLU . 24.8 ptp -126.96 2.7 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' MET . 25.2 mm100 37.43 55.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -136.43 147.39 47.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.6 m -138.33 135.19 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' CB ' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -120.73 145.85 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -158.78 130.87 2.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.43 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -82.45 120.56 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.96 156.93 16.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 53' ' ' GLN . 2.1 mtmp? -121.5 114.11 20.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' ARG . 13.4 tp -101.76 124.28 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -111.95 168.48 9.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -95.78 -35.68 11.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -136.77 158.46 44.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -44.77 20.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.05 -44.24 41.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.497 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 2.3 mmt180 -62.16 -51.09 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ttp -51.42 -38.4 53.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -66.07 -59.49 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -55.51 -36.62 66.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 93.8 t -65.6 -53.33 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -69.85 -6.91 35.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.474 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.8 mt-30 -94.81 -1.09 53.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.84 -40.94 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.82 25.86 2.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 82' ' ' GLN . 2.4 t -120.04 -135.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 3.3 pp -59.98 84.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' VAL . 12.0 pttt -97.92 160.29 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -137.48 178.29 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 88' ' ' ARG . 7.4 m120 -152.45 48.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.58 137.2 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -46.73 124.32 7.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.444 1.76 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.55 -129.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.8 p -141.29 -137.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -164.22 152.72 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -179.6 132.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.7 128.54 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.88 -164.17 31.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -128.84 -150.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.66 163.46 39.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.27 144.36 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.433 HG21 ' CD2' ' A' ' 21' ' ' PHE . 20.2 mt -131.39 137.36 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.436 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.8 pttt -131.31 111.85 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -62.82 113.87 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.4 mm -75.64 -73.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -137.11 160.07 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -126.86 108.31 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' GLU . 8.5 tttt -112.18 141.03 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -112.66 148.77 33.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -138.49 95.4 10.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -16.25 20.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -64.99 -56.85 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 72.6 mt -85.17 -18.91 32.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 80.49 33.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -124.91 -174.91 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -140.75 125.46 18.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.3 mm-40 -94.58 107.17 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.42 134.43 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.482 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 12.4 m-20 -118.64 144.93 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.433 ' CD2' HG21 ' A' ' 3' ' ' ILE . 25.3 p90 -161.26 164.38 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.436 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 15.6 mm -114.21 133.37 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 t -102.63 117.62 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -114.29 155.0 27.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 15.1 p90 -168.14 -179.98 4.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.13 73.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.58 -141.13 9.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.3 159.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -85.03 143.34 39.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.8 m -105.89 143.48 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -46.06 -37.69 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -65.2 -44.32 88.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -49.85 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.72 -39.62 85.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.473 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -59.2 -50.64 73.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.0 m-20 -61.68 -32.4 72.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 0.9 OUTLIER -66.85 -52.91 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -53.17 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.71 -37.61 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.89 61.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.475 ' CB ' HD22 ' A' ' 43' ' ' LEU . 4.8 mmm -68.14 -47.17 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.56 5.3 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 44.6 38.84 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.14 165.59 12.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.04 139.24 23.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -62.86 -50.55 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.08 -49.03 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 27.6 mt -68.76 -27.18 65.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.62 138.77 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.14 159.13 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mm -121.0 125.17 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -68.17 -64.9 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -170.65 124.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.1 mt -91.25 139.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 118.26 25.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -95.33 138.13 33.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HB2' ' CG ' ' A' ' 61' ' ' MET . 7.6 mm-40 -91.88 176.31 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 98.81 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.31 -16.36 6.01 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' GLN . 16.4 ptp -123.64 5.01 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.599 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 35.85 47.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -123.81 141.25 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 70.9 m -126.65 134.49 50.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -120.81 141.25 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.16 137.98 5.21 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.482 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.4 m-85 -89.22 123.53 33.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.94 154.36 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -119.86 113.42 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 17' ' ' ARG . 12.8 tp -100.19 125.62 46.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -108.69 158.14 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.46 -24.19 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -148.88 159.2 44.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -38.45 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -45.4 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 1.5 mmt180 -63.77 -47.28 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.5 ttp -51.2 -36.67 42.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -75.03 -54.99 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 82' ' ' GLN . 2.3 mt-30 -53.9 -30.18 44.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 48.7 t -79.4 -35.35 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -6.63 44.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 79' ' ' GLN . 0.2 OUTLIER -89.52 -4.9 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -76.17 -31.24 58.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.403 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -112.09 27.0 10.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.528 ' CG1' ' N ' ' A' ' 86' ' ' LEU . 1.7 p -101.34 -151.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.528 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -50.81 94.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 85' ' ' VAL . 1.2 ptpt -105.54 156.21 18.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -114.45 165.57 12.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -163.24 50.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -173.16 130.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 p -54.64 128.29 61.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -163.78 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.89 -125.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.6 t -148.64 -137.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.045 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.86 -165.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 177.47 131.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.85 155.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.01 154.96 20.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.33 -150.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.18 172.59 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.51 0.195 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 147.56 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.5 HG22 ' CD2' ' A' ' 21' ' ' PHE . 81.2 mt -134.5 143.91 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 5.3 pttt -134.27 103.94 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.11 114.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.3 mm -76.59 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -146.73 155.9 42.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -125.12 110.05 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 9.8 tttt -100.07 144.73 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -110.31 148.73 31.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -148.36 96.85 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.63 20.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -67.07 -59.47 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 16' ' ' ARG . 31.4 mt -84.1 -8.81 59.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.7 27.0 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.494 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 32.7 ptt180 -114.54 -169.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -151.89 119.01 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 39.8 mm-40 -90.66 105.89 18.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.33 133.95 53.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.562 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 25.3 m-20 -116.5 142.22 47.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 29.6 p90 -159.08 163.51 36.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.409 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 20.7 mm -113.95 134.09 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.85 128.89 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -126.19 150.47 48.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.8 p90 -162.83 176.06 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -134.12 60.9 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.55 -144.48 9.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.57 160.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.3 m -80.26 138.81 52.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 149.91 37.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -89.46 159.04 17.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 19.4 mtm105 -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -66.63 -24.33 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -46.94 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.8 t -65.69 -45.29 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.58 -48.85 71.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.0 m-20 -57.82 -36.76 72.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.6 tttp -67.7 -53.41 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.33 -53.46 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' CB ' HD13 ' A' ' 47' ' ' LEU . . . -48.84 -37.98 20.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.41 62.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.5 mtp -67.51 -47.2 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.59 6.21 44.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.1 p30 42.39 39.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.31 164.83 13.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 130.12 12.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -53.98 -53.07 57.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.89 -54.64 4.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 22.8 mt -62.29 -29.32 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.14 137.03 35.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -139.51 154.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.4 mm -110.22 125.25 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -67.12 -57.94 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 177.53 121.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.3 mt -84.14 139.51 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -125.18 111.43 15.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 m -90.39 137.24 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -85.67 -178.33 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -102.14 119.87 39.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.94 40.51 6.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 62' ' ' GLN . 1.5 mmm -122.62 1.41 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 61' ' ' MET . 8.8 mm100 36.47 56.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.63 132.21 5.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.3 m -131.68 138.84 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -117.85 144.73 45.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.515 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.93 128.42 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -81.87 132.03 35.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.769 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -110.45 154.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -119.17 112.91 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' ARG . 8.9 tp -99.25 124.67 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -111.09 160.08 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.89 -32.13 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.33 163.23 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' N ' HD21 ' A' ' 49' ' ' LEU . . . -81.28 -38.02 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.62 -46.73 77.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.79 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.9 ttp -50.92 -37.41 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -64.05 -62.85 1.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -55.36 -33.04 63.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 94.1 t -68.52 -52.13 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -6.99 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -86.56 -1.04 57.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -30.5 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.92 28.62 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 86' ' ' LEU . 1.5 p -96.43 -154.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.9 pp -55.3 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.02 159.61 14.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 -175.41 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -99.72 49.86 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 66.08 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -76.31 133.21 71.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.4 -114.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.097 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.5 t 59.64 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.012 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.93 144.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -174.31 130.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -169.57 156.03 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.63 83.78 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 100' ' ' GLU . 3.4 pt-20 -84.15 -147.61 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.75 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 0.8 OUTLIER -102.04 169.7 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.97 134.43 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 5.4 mt -122.11 136.36 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.436 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 8.5 ptmt -130.6 113.88 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.0 mt -66.05 117.15 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -79.87 -70.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 155.0 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -125.73 111.98 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -102.99 145.61 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 3.8 tttt -112.01 148.99 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -151.61 96.09 3.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.45 19.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.97 -59.4 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 56.2 mt -82.5 -20.68 36.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.2 t-20 79.11 35.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 27.5 ptt180 -126.8 -172.37 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -148.05 116.84 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -88.3 105.94 17.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.38 134.36 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 35.7 m-20 -114.85 141.49 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -157.06 170.03 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.024 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.436 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 26.6 mm -123.36 132.83 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 t -102.92 122.89 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -122.2 145.32 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 12.4 p90 -159.61 172.56 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -132.75 56.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -142.52 6.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.53 159.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -85.43 134.24 40.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.09 34.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.06 172.22 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -70.81 -29.29 65.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.07 -44.03 55.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -57.01 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.8 t -58.23 -35.05 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -62.52 -52.44 63.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.6 m-20 -59.03 -35.16 72.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 3.6 tttm -64.54 -52.06 59.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -53.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.41 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.61 61.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.457 ' CB ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -69.48 -47.22 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.57 6.0 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 43.57 37.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.96 165.07 13.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 143.15 28.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -68.17 -49.27 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -46.19 -42.09 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.495 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 42.2 mt -77.0 -26.97 54.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -82.6 135.54 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -136.63 159.12 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.8 mm -120.68 125.62 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -66.66 -59.52 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 179.86 124.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 mt -85.78 142.17 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -124.95 115.21 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -83.7 131.54 34.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.03 168.95 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.85 106.05 9.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.16 -29.18 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.132 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -149.68 27.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 111.039 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 36.13 56.28 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -117.39 124.23 48.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 m -111.79 131.81 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 110.045 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 5.6 ptpp? -117.32 146.22 43.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.41 144.42 9.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.9 m-85 -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.83 159.39 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -124.46 112.93 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' ARG . 11.5 tp -100.95 123.34 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.4 m-85 -110.22 165.25 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.37 -25.53 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -155.56 159.05 39.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.97 33.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.01 -44.54 41.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -66.04 -49.15 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 ttp -50.77 -39.32 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -63.55 -61.38 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.56 -29.67 62.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 89.6 t -72.55 -49.95 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.79 -6.9 44.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -92.95 -1.06 57.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.28 -24.61 32.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -116.42 27.53 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 86' ' ' LEU . 2.0 p -92.96 -149.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.531 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 1.5 pp -62.77 92.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -104.0 160.88 14.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' C ' ' CG ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -151.61 172.71 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' CG ' ' C ' ' A' ' 88' ' ' ARG . 2.6 m-80 -163.74 51.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.63 131.59 6.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -54.01 120.2 23.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.93 -129.07 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.4 t -158.52 -135.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -171.05 146.23 2.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 177.94 133.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.76 147.04 7.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 142.06 140.54 3.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -174.94 139.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.245 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.8 tt0 -175.69 129.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.528 0.204 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.25 131.32 53.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 28.5 mt -113.98 149.05 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.72 116.0 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.88 113.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.23 -67.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.03 160.65 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.48 109.49 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 ttpp -97.28 145.6 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 12.1 tttt -102.83 139.49 38.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -140.56 82.46 16.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -19.79 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.28 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD12 ' CZ ' ' A' ' 16' ' ' ARG . 9.8 mt -78.49 -10.97 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.23 34.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 36.3 ptt180 -126.47 -171.14 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.28 124.1 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.47 105.96 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.3 134.59 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -117.97 138.89 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 39' ' ' LEU . 27.9 p90 -154.42 171.62 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.459 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 14.4 mm -123.71 133.92 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 t -104.12 119.56 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' CG ' ' HG2' ' A' ' 63' ' ' GLU . 7.5 mttm -113.7 155.36 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 19.3 p90 -173.43 168.31 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.89 86.84 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.44 158.97 31.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t 58.29 161.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 m -120.79 119.8 29.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.88 25.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 m -83.09 162.22 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -58.25 -48.69 79.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 13.7 p30 -56.08 -33.21 64.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -71.35 -51.74 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.6 t -62.52 -41.69 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -51.14 65.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.6 m-20 -56.28 -33.01 65.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 3.2 tttt -66.69 -46.74 74.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.407 HD12 ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -69.93 -53.58 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.63 -38.03 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.99 -37.96 61.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.481 ' CB ' HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -67.58 -47.34 70.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.1 4.76 44.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 44.84 38.94 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.25 165.1 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 138.48 23.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.548 1.815 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -63.94 -50.9 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -45.17 -42.95 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 23.4 mt -75.08 -28.82 60.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -82.22 138.5 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 t -138.97 159.6 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mm -120.28 127.56 75.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.1 -54.67 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.58 127.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 44.4 mt -93.56 143.37 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -124.67 110.85 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.506 ' CG2' ' OH ' ' A' ' 25' ' ' TYR . 25.4 m -96.66 138.74 33.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' CB ' ' HE1' ' A' ' 61' ' ' MET . 2.1 mm-40 -108.55 164.53 12.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.41 103.53 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.22 -21.91 0.97 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.414 ' HE1' ' CB ' ' A' ' 58' ' ' GLU . 1.4 ptt? -142.37 14.86 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.59 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER 37.6 60.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 24' ' ' LYS . 34.3 mt-10 -118.42 154.37 32.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -146.87 121.55 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' CB ' HD13 ' A' ' 22' ' ' ILE . 8.1 ptpp? -119.02 143.83 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.63 143.54 8.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.48 135.67 33.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.26 159.68 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.7 mtmt -124.47 113.06 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 17' ' ' ARG . 12.5 tp -101.05 122.6 43.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 13.2 m-85 -110.96 166.16 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -135.89 161.76 34.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' N ' HD21 ' A' ' 49' ' ' LEU . . . -78.58 -37.26 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.28 -46.18 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -55.66 -50.23 70.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.1 ttp -52.28 -36.23 52.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -66.89 -57.94 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -59.86 -35.4 74.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 75.3 t -63.76 -47.83 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -6.86 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -3.98 58.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.79 -33.37 52.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.25 29.16 7.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.535 ' CG1' ' N ' ' A' ' 86' ' ' LEU . 2.1 p -85.07 -149.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.535 ' N ' ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -62.69 94.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.47 163.06 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -105.95 168.6 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -148.91 47.96 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.99 124.18 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 73.6 t -75.77 143.08 74.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 18.5 Cg_endo -75.07 -171.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.7 -79.58 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.5 t 72.25 115.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.38 146.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.35 133.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.07 155.88 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.63 142.33 3.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -175.19 139.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.68 117.47 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.497 0.189 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -116.4 110.62 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 26.9 mt -103.33 134.2 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.404 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmm? -128.63 109.01 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.81 116.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.28 -68.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 154.23 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.64 112.62 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -99.82 142.05 31.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 16.2 tttt -105.07 138.08 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.407 ' ND2' HD11 ' A' ' 14' ' ' LEU . 16.8 t-20 -145.03 82.88 9.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.35 -63.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 12.5 mt -74.09 -19.47 60.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER 81.44 42.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 12.6 ptp180 -140.01 -168.96 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -95.82 107.46 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.74 136.14 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -118.72 139.25 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 22.6 p90 -151.82 172.66 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 65' ' ' LYS . 32.5 mm -123.01 131.41 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' SER . 4.8 t -102.76 124.69 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -128.09 157.4 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 4.9 p90 -169.83 160.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.64 60.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 166.0 14.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 16.3 t 57.99 160.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 117.52 31.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.48 26.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -82.49 169.24 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -62.95 -37.15 85.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' A' ' 34' ' ' ASP . 2.2 p-10 -63.63 -48.98 75.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 67.4 m-20 -57.3 -46.39 83.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.91 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -59.47 -52.88 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.4 m-20 -54.03 -35.18 61.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 4.2 tttp -67.77 -51.97 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -53.52 56.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.18 -37.07 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.75 61.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.407 ' CB ' HD22 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -67.37 -47.16 71.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.46 6.04 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 44.68 39.26 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.43 164.81 14.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.461 1.769 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -66.68 -50.74 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.31 -44.86 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.486 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 29.2 mt -74.01 -27.23 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.41 138.33 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.26 156.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 mm -117.5 127.23 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -68.06 -66.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.54 123.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.455 ' CD1' ' HG3' ' A' ' 32' ' ' ARG . 23.8 mt -90.04 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -124.83 115.6 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 m -95.41 136.04 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -109.61 169.45 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.2 105.69 10.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.8 -30.39 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' GLN . 11.7 ptt? -136.46 15.01 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.546 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 36.57 45.2 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -111.85 125.44 54.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' VAL . 18.9 m -113.26 131.04 56.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 3.7 ptpp? -118.51 141.41 48.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.23 143.35 8.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.6 145.52 26.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.79 154.49 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -119.43 114.03 21.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' ARG . 10.1 tp -100.16 124.29 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 69.2 m-85 -115.57 158.7 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.06 -32.51 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -136.17 156.45 48.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.55 -31.66 32.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.59 -53.42 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.501 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -55.32 -45.35 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.2 ttp -50.95 -36.31 38.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -55.9 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -31.11 63.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 98.0 t -72.18 -48.45 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -6.8 42.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -1.98 47.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -87.33 -31.84 19.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.53 28.09 9.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.488 HG11 ' N ' ' A' ' 86' ' ' LEU . 2.4 p -98.29 -162.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.488 ' N ' HG11 ' A' ' 85' ' ' VAL . 1.8 pp -40.3 97.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' VAL . 10.6 pttm -112.08 164.32 13.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -117.17 164.37 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -150.04 52.09 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -178.09 123.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -50.62 132.16 27.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.2 Cg_endo -75.06 130.77 13.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.57 -117.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.0 t 168.43 119.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.974 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.46 -167.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.0 p -130.76 -143.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -175.31 109.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.13 152.2 7.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.13 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -142.2 -151.18 0.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 2.3 tt0 -177.34 148.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.499 0.19 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.14 131.68 53.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.475 HG21 ' CD2' ' A' ' 21' ' ' PHE . 72.1 mt -117.42 145.46 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.436 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.2 pttt -133.3 112.56 11.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.3 110.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.4 mm -72.22 -69.15 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.2 159.68 42.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -127.82 111.81 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.0 tttt -108.63 144.11 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 8.2 tttt -112.81 148.07 35.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -139.46 95.14 9.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.9 20.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.821 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.9 mt -68.29 -63.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.01 -15.0 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 72.76 45.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -136.56 -172.36 3.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -145.67 119.72 9.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.6 115.34 27.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.55 134.43 55.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 2.1 m-20 -118.37 139.29 51.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.475 ' CD2' HG21 ' A' ' 3' ' ' ILE . 35.5 p90 -156.5 169.91 23.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 65' ' ' LYS . 32.1 mm -120.77 134.25 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -102.81 121.47 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -117.88 151.68 36.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 6.9 p90 -163.21 171.8 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -130.96 57.88 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.72 -142.1 8.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.59 139.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -74.56 141.02 75.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 148.53 35.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 m -90.33 166.86 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.59 -43.06 95.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -66.76 -25.8 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.92 -46.42 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.97 -41.65 81.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -57.67 -53.95 52.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.8 m-20 -56.78 -38.77 72.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -63.45 -53.17 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -60.29 -53.9 52.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.45 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -36.4 60.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.448 ' CB ' HD22 ' A' ' 43' ' ' LEU . 80.6 mtp -68.27 -46.04 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -92.88 7.69 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.4 p30 41.82 37.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.86 164.57 14.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.5 Cg_endo -75.03 143.46 29.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.58 -50.11 54.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.5 pm0 -45.3 -37.19 4.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.508 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 32.9 mt -83.52 -29.18 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.42 125.2 30.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -129.74 161.62 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.41 HG12 ' NE ' ' A' ' 36' ' ' ARG . 13.0 mm -118.9 130.01 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -72.22 -62.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.46 124.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.5 mt -90.78 144.11 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -125.05 115.48 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -93.35 132.71 37.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.68 -176.39 3.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -106.17 107.74 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.55 40.28 77.64 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -123.33 2.87 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' MET . 7.7 mm100 37.71 57.72 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.33 124.9 4.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.9 m -127.01 132.77 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 6.4 ptpp? -117.52 144.84 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.02 140.07 6.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.505 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.53 132.56 34.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 111.015 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.52 154.14 26.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.87 112.85 19.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' ARG . 15.7 tp -99.36 123.39 43.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.523 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.9 m-85 -106.82 163.75 12.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.21 -36.61 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -131.76 163.91 27.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -42.22 17.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -51.05 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.55 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.76 -53.01 60.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.523 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.7 tmm? -49.05 -51.99 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -55.22 -52.71 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -62.31 -31.36 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 84.0 t -68.66 -48.23 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.05 -6.78 47.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -4.73 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -31.1 21.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.68 28.37 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 86' ' ' LEU . 1.9 p -97.83 -160.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 3.3 pp -43.65 98.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -110.75 163.77 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -129.65 171.9 12.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -149.3 49.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.04 120.67 3.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 2.7 p -43.96 136.59 3.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.2 Cg_endo -75.02 -166.52 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.45 -123.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.2 t -147.73 -137.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -159.07 158.69 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 t -178.84 131.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.456 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.41 67.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 53.9 -173.1 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -174.11 139.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -162.0 129.44 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.504 0.193 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.02 124.24 46.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 5.2 mt -108.2 144.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.28 112.55 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.467 HD12 ' CE ' ' A' ' 42' ' ' MET . 5.8 mt -65.72 113.82 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.0 mm -76.49 -70.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -148.52 153.61 38.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' OD2' ' NH2' ' A' ' 17' ' ' ARG . 2.5 t0 -123.66 114.14 19.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 tttt -103.61 145.91 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -109.59 148.55 31.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -151.69 95.84 3.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.77 20.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.6 mt -65.51 -63.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.5 mt -78.63 -5.85 54.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.9 32.58 15.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.8 ptt180 -124.68 -174.58 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -146.09 119.92 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.62 133.65 55.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.549 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 8.1 m-20 -112.98 138.25 50.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CE2' HD22 ' A' ' 39' ' ' LEU . 49.2 p90 -153.15 172.36 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 11.8 mm -129.95 128.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 18.9 t -102.42 114.95 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 63' ' ' GLU . 5.7 mttm -113.47 147.4 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 6.1 p90 -158.64 160.46 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -102.92 68.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.8 165.18 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 t 57.76 160.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -120.2 119.59 30.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.38 28.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.6 m -83.76 174.82 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 8.7 mpt_? -68.55 -41.2 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -61.16 -40.56 94.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -50.42 64.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -62.24 -38.47 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.39 -50.28 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.6 m-20 -54.5 -41.57 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.5 tttp -61.27 -53.17 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.437 HD22 ' CE2' ' A' ' 21' ' ' PHE . 0.6 OUTLIER -60.6 -53.92 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.45 -37.63 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.64 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.467 ' CE ' HD12 ' A' ' 5' ' ' ILE . 61.9 mtp -68.07 -47.42 68.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.04 5.37 46.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 43.89 37.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.37 163.36 17.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 129.82 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -53.25 -52.13 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.64 -53.21 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.481 ' CG ' ' HG2' ' A' ' 46' ' ' PRO . 21.0 mt -64.44 -28.14 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.36 138.38 34.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.38 156.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mm -117.19 122.16 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -65.46 -53.33 44.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 175.49 127.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 32' ' ' ARG . 15.3 mt -90.11 144.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 55' ' ' ILE . 1.8 mtmt -125.09 113.44 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 m -85.68 131.2 34.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.442 ' CG ' ' HE3' ' A' ' 61' ' ' MET . 35.5 mm-40 -83.98 -171.72 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -113.85 132.25 55.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.35 42.64 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.442 ' HE3' ' CG ' ' A' ' 58' ' ' GLU . 1.6 mmm -121.32 -6.89 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 45.1 49.45 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.571 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -165.07 171.96 13.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.6 m -153.07 146.47 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -119.53 163.58 17.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.66 139.91 4.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.35 130.22 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -109.05 154.45 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -120.5 112.72 19.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' ARG . 7.1 tp -98.48 126.02 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 46.9 m-85 -112.77 154.61 25.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -76.88 -34.67 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.87 164.77 29.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.77 -35.18 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.62 -51.97 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.514 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.07 -47.4 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.423 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 25.3 ttp -50.53 -38.94 47.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' GLU . 9.5 mtpt -75.28 -59.22 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.472 ' HA ' ' CG ' ' A' ' 82' ' ' GLN . 33.5 mt-30 -45.71 -28.93 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 33.2 t -85.27 -38.37 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' LYS . 5.1 mt-10 -77.23 -6.53 53.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.472 ' CG ' ' HA ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -117.93 -0.43 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.42 -29.69 66.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.57 25.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 87' ' ' LYS . 2.2 t -116.12 -137.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.43 83.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -88.04 -167.6 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -55.04 172.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ARG . 2.0 m-80 40.02 39.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.73 134.65 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 91' ' ' VAL . 3.6 p -55.36 115.82 10.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 158.24 42.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 94' ' ' SER . . . -70.6 -126.79 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 93' ' ' GLY . 3.4 t 162.76 126.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.66 160.6 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -178.08 131.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -175.13 96.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.58 84.92 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -148.03 -149.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 0.727 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 56.85 109.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.529 0.204 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.06 130.91 56.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.59 143.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -134.39 109.61 8.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 mt -60.57 112.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' ASP . 10.4 mm -74.96 -74.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.66 160.55 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -127.9 111.61 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.3 tttp -111.13 143.28 42.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.8 tttt -113.73 147.35 38.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -141.59 93.77 7.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.42 20.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -63.39 -60.02 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 82.3 mt -82.39 -20.11 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.3 t-20 82.03 33.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -124.47 -173.98 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.71 124.57 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -95.71 110.41 22.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.34 134.76 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.513 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 7.3 m-20 -117.2 140.23 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.539 ' CE1' HD12 ' A' ' 39' ' ' LEU . 51.6 p90 -154.84 161.09 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 65' ' ' LYS . 31.2 mm -113.7 134.41 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 10.8 t -102.55 125.68 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -126.46 144.21 50.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 6.9 p90 -161.99 175.31 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.1 85.18 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -141.31 12.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -51.51 159.43 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.783 . . . . 0.0 110.013 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.445 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -84.45 145.84 46.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 161.37 38.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 m -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -45.83 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -61.28 -39.89 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -46.67 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.85 -37.4 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' HG3' ' CG1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -64.46 -53.26 51.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.8 m-20 -56.41 -37.64 70.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -51.65 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.539 HD12 ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -61.81 -53.08 60.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.78 -36.75 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.42 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.422 ' CB ' HD21 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -68.32 -47.21 68.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.23 5.82 43.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 43.43 38.1 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.93 166.64 10.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 150.7 38.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -74.07 -49.21 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -46.84 -39.24 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' CD1' ' HG2' ' A' ' 46' ' ' PRO . 29.8 mt -79.86 -27.54 40.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.5 tp -82.74 135.79 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -138.71 161.47 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.425 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 8.3 mm -120.33 125.95 74.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -69.84 -58.5 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.87 126.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -92.01 142.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.02 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 m -95.3 138.74 32.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -110.56 167.06 10.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.14 103.61 9.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.01 -37.12 0.46 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER -139.74 23.98 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 111.02 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.502 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER 36.45 53.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -113.14 127.21 56.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m -116.14 131.01 57.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 5.5 ptpp? -120.69 140.08 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 138.88 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -84.42 138.29 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.61 154.45 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -119.97 114.71 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.9 tp -100.01 123.69 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.512 ' CE2' ' HG3' ' A' ' 77' ' ' MET . 23.7 m-85 -109.15 151.14 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -88.62 -31.04 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.72 135.14 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.88 93.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -49.68 -50.97 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.549 ' O ' ' CG2' ' A' ' 80' ' ' VAL . 2.1 mmt180 -56.36 -53.47 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.512 ' HG3' ' CE2' ' A' ' 71' ' ' TYR . 3.2 tmm? -48.95 -53.56 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -55.56 -51.89 65.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.69 -40.93 89.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 76' ' ' ARG . 63.2 t -56.62 -51.27 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.29 -6.97 55.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -0.74 28.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -94.03 -29.86 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.73 27.47 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 86' ' ' LEU . 4.2 t -108.24 -129.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 85' ' ' VAL . 4.3 mt -38.43 100.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' VAL . 8.7 pttt -133.08 148.31 52.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.61 -164.2 1.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -107.11 53.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.41 125.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 3.4 t -98.35 134.94 21.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.2 Cg_endo -75.06 -164.87 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.797 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.76 -130.44 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 t 168.19 125.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.36 134.84 2.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.97 12.64 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.29 171.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.18 152.17 5.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.89 -152.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.58 95.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.431 ' HE2' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.85 139.5 50.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.691 HG23 ' HD2' ' A' ' 21' ' ' PHE . 67.3 mt -127.05 143.79 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 7.8 ptpt -131.89 115.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.79 105.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -67.54 -69.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 160.68 42.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.24 108.31 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 3.9 tttm -95.26 148.14 22.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.49 146.92 37.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -149.24 92.4 4.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.95 -64.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 14.9 mt -76.71 -21.53 55.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 79.75 32.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' CZ ' ' CD1' ' A' ' 14' ' ' LEU . 34.6 ptt180 -122.99 -170.52 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -150.4 120.48 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.82 101.92 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.778 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -108.08 134.21 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.14 142.53 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.691 ' HD2' HG23 ' A' ' 3' ' ' ILE . 22.1 p90 -158.98 169.86 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.56 HD13 ' HB2' ' A' ' 65' ' ' LYS . 19.7 mm -120.53 133.5 67.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -103.01 128.01 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -125.57 148.34 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -161.68 173.44 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -129.95 71.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.3 -148.87 20.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.55 134.6 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.756 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -63.55 146.59 96.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.756 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -75.06 161.34 38.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -97.06 141.89 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.94 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HG3' HD12 ' A' ' 55' ' ' ILE . 7.6 mtp180 -47.23 -35.12 7.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -68.55 -40.14 80.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -44.06 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.03 -41.23 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -52.66 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -58.53 -36.35 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HG2' HD12 ' A' ' 3' ' ' ILE . 3.4 tttp -64.64 -53.02 54.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.513 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -60.27 -53.54 56.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.75 -37.08 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.17 -37.61 61.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 32.1 mtp -66.54 -47.29 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.788 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.24 5.82 47.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 m120 44.2 38.63 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.82 166.7 10.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.657 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 146.8 33.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.54 -49.59 39.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.22 -39.43 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.657 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -79.4 -28.24 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.65 129.54 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.073 . . . . 0.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.1 t -133.11 157.4 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 68' ' ' ALA . 3.1 mm -118.66 125.24 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -66.9 -56.86 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.48 130.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.572 HD12 ' HG3' ' A' ' 32' ' ' ARG . 26.1 mt -91.45 142.23 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -125.04 117.47 24.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.708 HG23 ' OG ' ' A' ' 64' ' ' SER . 14.9 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.708 ' OG ' HG23 ' A' ' 57' ' ' THR . 72.5 m -134.11 136.53 43.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -115.09 154.6 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -168.51 128.82 1.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -111.24 155.62 22.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -121.04 112.92 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' A' ' 19' ' ' LEU . 8.7 tp -99.3 125.3 44.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.539 ' N ' HD12 ' A' ' 70' ' ' LEU . 49.2 m-85 -113.12 157.46 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.04 -23.82 24.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -153.68 153.72 32.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.62 -36.96 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -48.97 -36.5 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.437 ' HG3' ' CB ' ' A' ' 15' ' ' ASN . 2.4 mmt180 -74.73 -47.49 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.3 ttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.514 0.197 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.42 130.36 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 38' ' ' LYS . 44.3 mt -116.02 138.93 44.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 4.2 ptpt -129.72 110.86 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.14 112.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.32 -69.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -147.41 157.43 43.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.18 114.28 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -104.5 139.31 39.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 134.25 47.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -142.4 85.84 10.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -15.34 20.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt -61.17 -56.96 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.79 2.26 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 m120 58.77 44.96 16.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 34.2 ptt180 -139.35 -169.04 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.57 124.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -94.86 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -116.36 134.3 55.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 27.2 m-20 -114.65 141.16 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -156.86 167.75 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 134.14 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.2 t -102.87 124.29 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -124.71 149.43 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -171.51 171.82 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.61 90.89 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.18 -144.4 16.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.23 139.3 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.474 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.7 m -77.29 139.34 64.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.03 157.26 42.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.88 161.4 13.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -58.86 -31.7 68.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -67.12 -52.24 44.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -55.79 -50.34 70.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.81 -38.11 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.621 ' HB3' HD21 ' A' ' 47' ' ' LEU . 7.1 mtt180 -60.68 -53.17 60.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -59.46 -36.53 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HB3' HD12 ' A' ' 3' ' ' ILE . 6.4 tttp -61.26 -51.08 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -64.57 -53.46 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.98 -36.46 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.99 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.498 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.03 -47.18 72.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.82 3.58 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m120 45.41 39.97 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.98 166.06 11.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.621 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.05 131.91 14.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -56.08 -51.34 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.28 -51.04 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.621 HD12 ' HG2' ' A' ' 46' ' ' PRO . 25.7 mt -66.92 -27.19 67.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.695 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.52 137.1 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.2 t -139.34 158.24 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -118.68 127.46 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -68.37 -69.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -166.97 123.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.2 mt -87.99 141.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -125.0 111.44 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.65 HG23 ' OG ' ' A' ' 64' ' ' SER . 14.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.65 ' OG ' HG23 ' A' ' 57' ' ' THR . 24.4 m -127.19 130.71 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -115.68 147.4 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.01 136.83 4.28 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -85.47 142.08 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -119.94 153.99 35.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -119.21 112.88 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.695 HD13 HD12 ' A' ' 50' ' ' LEU . 14.1 tp -99.53 123.13 43.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 68.9 m-85 -112.81 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.44 -36.15 10.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 76' ' ' ARG . 19.1 m-20 -131.02 156.52 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 -38.62 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.03 -47.7 77.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -54.99 -50.86 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.1 ttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 111.01 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.27 134.4 54.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 38' ' ' LYS . 44.1 mt -122.52 133.53 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.29 108.46 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.93 117.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.8 mm -81.54 -71.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -145.28 152.13 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -123.78 113.25 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttm -100.87 148.75 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.97 144.21 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -147.77 89.87 5.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.37 20.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.45 -64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 11.3 mt -74.7 -21.68 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.9 t-20 80.84 40.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 14' ' ' LEU . 32.8 ptt180 -133.63 -166.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -154.47 118.61 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.54 105.64 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.33 135.11 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 15.3 m-20 -114.82 138.22 51.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.475 ' CD1' HD11 ' A' ' 39' ' ' LEU . 54.6 p90 -153.09 164.17 38.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 65' ' ' LYS . 9.9 mm -116.53 133.76 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.22 123.02 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -123.42 146.43 48.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' HH ' HG23 ' A' ' 57' ' ' THR . 8.2 p90 -163.47 169.74 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -124.83 75.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.33 -142.06 9.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -50.28 159.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.691 HG23 ' HD2' ' A' ' 30' ' ' PRO . 3.0 m -86.96 144.93 37.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 150.65 38.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 m -86.7 156.42 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -58.34 -32.14 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -74.86 -27.81 60.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.8 -53.65 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG11 ' CE2' ' A' ' 21' ' ' PHE . 69.8 t -59.94 -40.14 82.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -50.0 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.5 m-20 -62.66 -35.33 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.548 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.1 tttp -65.54 -51.43 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.34 -53.63 49.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.89 -37.84 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.83 62.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.507 ' C ' HD23 ' A' ' 43' ' ' LEU . 74.0 mtp -67.77 -47.25 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.51 7.57 35.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.7 p-10 42.16 38.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.87 166.42 10.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.667 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 146.06 32.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.4 -48.33 50.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.47 -37.24 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.667 HD12 ' HG2' ' A' ' 46' ' ' PRO . 35.2 mt -83.22 -27.37 30.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.64 135.17 35.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 3.8 t -137.83 161.97 32.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.3 mm -119.63 128.47 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -71.63 -62.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -174.99 121.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.2 mt -87.35 139.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -124.59 114.77 19.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.609 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.4 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.609 ' OG ' HG23 ' A' ' 57' ' ' THR . 4.8 m -112.48 130.3 56.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.8 ptpp? -117.79 139.85 50.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.49 138.64 5.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.435 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.8 m-85 -86.49 125.08 33.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -101.04 156.76 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -122.29 113.05 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.7 tp -99.73 123.89 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' N ' HD12 ' A' ' 70' ' ' LEU . 46.5 m-85 -112.95 161.74 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.74 -36.25 14.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -138.0 145.34 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.43 -41.4 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -36.58 26.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -70.21 -50.79 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.0 ttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.522 0.201 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.39 133.16 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.55 HD12 ' HB3' ' A' ' 38' ' ' LYS . 46.3 mt -121.79 139.77 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -129.76 106.48 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.75 113.44 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ASP . 7.9 mm -76.23 -73.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.56 153.86 42.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.442 ' HB2' HD23 ' A' ' 19' ' ' LEU . 1.4 t0 -123.85 113.81 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.5 tttp -100.78 146.83 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 7.7 tttt -113.65 148.69 35.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -153.82 93.84 2.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.32 20.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.16 -63.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 85.9 mt -79.3 -17.91 53.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 5.2 t-20 76.06 43.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -131.55 -168.36 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -156.4 115.59 3.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -89.63 110.6 21.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -114.27 134.53 54.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 3.9 m-20 -114.39 141.12 48.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CD2' HG23 ' A' ' 3' ' ' ILE . 40.4 p90 -158.43 163.79 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' A' ' 65' ' ' LYS . 48.7 mm -115.65 134.28 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 t -102.83 125.18 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -124.95 145.07 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -160.63 177.06 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.78 81.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.85 -147.22 18.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.54 144.1 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.743 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.9 m -67.98 146.31 98.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.04 167.13 27.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 m -101.96 149.62 24.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.27 -46.13 72.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -62.22 -32.44 73.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.28 -42.94 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.03 -41.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -61.92 -46.68 88.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.1 m-20 -61.76 -29.67 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.55 ' HB3' HD12 ' A' ' 3' ' ' ILE . 5.4 tttp -70.65 -52.69 19.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.579 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.17 -53.49 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.79 -36.41 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.52 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.463 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -67.35 -47.28 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.779 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.69 5.58 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 m120 44.64 38.44 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.28 166.01 11.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.651 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 145.85 32.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -70.53 -50.3 39.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -38.71 6.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.651 HD12 ' HG2' ' A' ' 46' ' ' PRO . 28.7 mt -80.9 -29.73 35.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.44 124.37 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 2.6 t -127.84 159.72 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 68' ' ' ALA . 2.6 mm -119.06 129.14 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -71.41 -65.91 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.73 127.68 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.8 mt -92.15 143.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 114.52 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.49 HG23 ' OG ' ' A' ' 64' ' ' SER . 3.1 m . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.49 ' OG ' HG23 ' A' ' 57' ' ' THR . 8.3 m -119.19 134.62 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.618 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.0 ptpp? -120.08 143.16 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.97 139.69 6.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.9 136.13 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -113.65 157.0 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -121.37 113.04 19.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.651 ' HB3' HD11 ' A' ' 19' ' ' LEU . 9.3 tp -99.71 125.65 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.528 ' N ' HD12 ' A' ' 70' ' ' LEU . 38.2 m-85 -113.52 156.1 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.33 -22.15 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.62 157.07 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.8 -37.39 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.18 -48.37 73.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -50.74 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.8 ttp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.468 0.175 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.98 142.43 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 38' ' ' LYS . 51.4 mt -127.28 145.45 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmt -135.72 111.33 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.21 112.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.31 -70.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -148.42 154.8 40.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -124.34 111.18 15.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -102.22 148.1 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -114.83 148.75 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -147.91 95.94 4.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.69 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 50.4 mt -79.31 -23.5 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 81.84 40.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 36.0 ptt180 -128.1 -171.0 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.58 115.32 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 16' ' ' ARG . 33.2 mm-40 -88.18 103.36 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -108.09 133.91 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 8.6 m-20 -115.54 140.54 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 52.9 p90 -157.26 165.58 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.6 mm -119.86 133.92 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -102.92 125.9 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -122.1 146.4 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.8 p90 -160.56 179.35 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.64 68.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.08 -149.77 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.41 131.25 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 1.2 t -55.33 147.42 37.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.0 173.79 13.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.5 m -105.93 150.8 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.514 ' HG3' HD12 ' A' ' 55' ' ' ILE . 3.9 mtp180 -51.54 -38.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.19 -49.59 71.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.24 -49.34 76.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.7 -35.28 74.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.37 -53.09 48.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -57.87 -29.35 64.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.542 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.9 tttp -69.78 -52.64 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.758 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -60.8 -53.56 55.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.95 -36.79 18.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.19 -37.75 61.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -68.27 -47.27 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.79 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.23 6.88 40.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.5 p-10 42.23 38.23 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.27 165.89 11.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.636 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -65.81 -50.16 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -44.57 -40.26 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' HG2' ' A' ' 46' ' ' PRO . 30.6 mt -80.66 -30.51 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.758 HD21 ' HB3' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -82.74 113.72 20.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 52' ' ' ILE . 9.7 t -119.23 165.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG12 ' NE ' ' A' ' 36' ' ' ARG . 2.9 mm -120.32 132.29 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.85 -52.91 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.8 125.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.514 HD12 ' HG3' ' A' ' 32' ' ' ARG . 16.6 mt -91.26 142.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 114.09 18.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.452 HG23 ' OG ' ' A' ' 64' ' ' SER . 23.9 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.452 ' OG ' HG23 ' A' ' 57' ' ' THR . 24.3 m -131.5 130.81 42.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.626 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -117.26 151.93 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -170.9 128.1 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -80.65 134.55 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.6 154.43 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -118.41 112.89 20.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.743 ' HB3' HD11 ' A' ' 19' ' ' LEU . 15.5 tp -100.08 123.47 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.3 m-85 -105.06 152.18 23.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.5 -30.87 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -143.41 158.96 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -79.14 -40.93 29.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -50.9 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -53.18 58.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.514 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.8 tmm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.43 138.09 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.556 HG21 HD12 ' A' ' 39' ' ' LEU . 5.6 mt -124.08 130.72 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 1.9 ptmt -124.21 113.33 18.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -64.39 117.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' CG1' HG12 ' A' ' 22' ' ' ILE . 3.5 mm -79.67 -68.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -148.34 153.15 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.405 ' HB2' HD23 ' A' ' 19' ' ' LEU . 2.8 t0 -123.72 113.9 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.3 tttp -100.12 147.15 25.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.96 144.12 32.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -153.06 82.33 4.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.81 18.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.2 mt -60.35 -57.81 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD12 ' HD3' ' A' ' 16' ' ' ARG . 11.2 mt -84.6 2.01 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 57.72 46.61 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HD3' HD12 ' A' ' 14' ' ' LEU . 1.1 ptm180 -140.75 -169.9 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -154.23 125.27 7.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.51 107.63 20.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -113.67 136.78 52.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.541 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 10.1 m-20 -116.34 137.15 52.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 46.5 p90 -151.0 165.73 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.554 HD13 ' HB2' ' A' ' 65' ' ' LYS . 30.2 mm -118.46 133.9 63.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.0 123.25 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -121.94 148.07 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.06 172.68 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.76 63.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.71 -140.83 7.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -48.73 160.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.706 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -86.78 145.11 38.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.5 Cg_endo -74.97 158.64 42.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.82 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.4 m -98.71 150.25 22.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -49.19 -42.31 39.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -63.73 -43.25 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.5 -46.39 90.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.25 -37.33 75.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.705 ' HB3' HD11 ' A' ' 47' ' ' LEU . 1.7 mtt85 -63.08 -53.05 59.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' N ' HD11 ' A' ' 47' ' ' LEU . 5.4 m-20 -58.92 -40.06 83.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HG2' HD12 ' A' ' 3' ' ' ILE . 4.9 tttm -58.74 -52.35 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -61.92 -51.98 65.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -36.3 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -39.96 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.508 ' C ' HD23 ' A' ' 43' ' ' LEU . 23.2 mtp -66.44 -47.07 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.79 6.32 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.6 p-10 42.33 38.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.1 162.9 18.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.67 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 134.82 18.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -59.19 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -46.06 -45.6 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.67 HD12 ' HG2' ' A' ' 46' ' ' PRO . 46.5 mt -75.16 -25.26 58.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.55 137.93 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 1.8 t -138.92 156.47 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' A' ' 36' ' ' ARG . 8.0 mm -116.67 123.55 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -65.41 -59.42 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.42 127.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.7 mt -90.52 141.53 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.17 115.0 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.5 m -123.42 131.14 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.554 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.4 ptpp? -119.27 141.84 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.79 136.94 4.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.1 m-85 -82.34 144.34 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -120.05 154.57 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -118.44 112.99 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.701 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.6 tp -101.27 124.01 46.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' N ' HD12 ' A' ' 70' ' ' LEU . 34.1 m-85 -109.66 162.86 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.29 -32.02 18.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.04 163.28 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.15 -36.72 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -51.41 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -48.94 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.5 ttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.426 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.521 0.201 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.76 144.31 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 38' ' ' LYS . 8.5 mt -132.64 135.6 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.458 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.4 pttt -127.04 110.53 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.6 mt -62.26 109.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.2 mm -72.02 -73.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -144.89 155.6 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.96 112.85 17.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.8 tttp -103.94 146.5 28.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -112.37 148.99 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -146.32 96.62 4.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.1 18.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.08 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 36.8 mt -78.99 -17.01 56.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 74.82 28.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -118.46 -176.84 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -144.07 118.22 9.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -90.51 110.12 21.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -114.31 134.52 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' ILE . 10.4 m-20 -114.11 140.63 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -158.6 160.61 36.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' A' ' 65' ' ' LYS . 28.1 mm -113.67 133.16 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -103.0 126.49 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -126.67 147.25 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 6.4 p90 -161.14 167.35 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -126.85 40.85 3.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.12 -144.17 3.88 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.33 157.37 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -68.66 125.99 92.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.63 32.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -80.46 169.13 18.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.459 ' HG3' HD12 ' A' ' 55' ' ' ILE . 11.7 mtp180 -67.92 -33.71 75.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -66.76 -42.23 86.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -50.53 69.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.82 -34.94 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -53.08 49.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.73 -23.81 31.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.3 tttp -76.58 -50.81 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.542 HD12 HG21 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -64.02 -53.18 54.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.71 -36.38 16.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.05 -37.36 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.476 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.43 -47.23 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.19 3.18 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 45.3 39.17 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -107.31 163.39 17.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.658 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 126.91 10.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.52 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -52.72 -48.35 66.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.32 -47.04 18.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.658 HD12 ' HG2' ' A' ' 46' ' ' PRO . 38.3 mt -73.12 -25.11 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -82.6 137.85 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.1 t -138.75 158.92 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -119.15 125.91 74.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.32 -65.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -172.89 121.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.459 HD12 ' HG3' ' A' ' 32' ' ' ARG . 49.0 mt -86.88 140.85 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.87 115.23 20.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.815 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.488 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.815 ' OG ' HG23 ' A' ' 57' ' ' THR . 16.2 m -111.0 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.68 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.6 ptpp? -118.27 143.29 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.11 139.75 6.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 9.1 m-85 -89.0 126.08 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -102.11 155.54 18.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -119.21 113.0 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.632 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.2 tp -98.89 122.91 42.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' N ' HD12 ' A' ' 70' ' ' LEU . 32.3 m-85 -109.61 156.47 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.16 -22.11 25.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.92 160.35 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.63 -29.37 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -46.76 84.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mmt-85 -62.49 -45.09 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 ttp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.435 0.16 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.05 142.64 46.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 38' ' ' LYS . 37.5 mt -125.79 148.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 7.5 ptpt -134.61 114.3 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.83 108.59 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.4 mm -71.32 -69.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -147.96 156.08 42.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -125.34 111.46 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 tttp -102.62 144.16 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.1 tttt -111.93 149.1 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -153.26 96.25 2.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.5 20.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.97 -62.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 26.1 mt -76.99 -17.88 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 75.54 33.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 13.3 ptp180 -129.14 -174.31 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -145.58 121.72 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -91.76 106.68 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.56 134.42 53.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 7.2 m-20 -116.01 139.4 50.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -156.82 173.01 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 65' ' ' LYS . 6.4 mm -127.97 133.27 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 3.3 t -102.85 124.35 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -122.59 149.81 43.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.4 p90 -160.09 168.35 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.01 55.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.56 161.34 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t 62.37 161.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -117.18 118.87 35.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.87 25.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.4 m -86.31 172.76 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 55' ' ' ILE . 6.6 mtp180 -65.73 -42.51 90.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -66.25 -29.77 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -41.91 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.441 HG13 HD11 ' A' ' 3' ' ' ILE . 43.0 t -71.96 -46.43 59.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.669 ' HG3' HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -51.62 -52.91 43.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' N ' HD11 ' A' ' 47' ' ' LEU . 1.7 m-20 -52.96 -31.59 41.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.615 ' HB3' HD12 ' A' ' 3' ' ' ILE . 1.3 tttt -71.64 -52.04 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -62.66 -53.05 60.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.72 -35.8 14.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.09 61.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.467 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -68.73 -47.36 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.71 5.67 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 43.09 37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -108.08 165.9 11.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.664 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.473 HD11 ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.96 -50.73 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.27 -40.39 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.7 mt -78.89 -29.39 44.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.51 124.5 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.577 ' C ' HD13 ' A' ' 52' ' ' ILE . 1.6 t -127.49 152.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.669 HD11 ' HG3' ' A' ' 36' ' ' ARG . 6.7 mm -105.49 122.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.02 -55.96 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.75 120.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.563 HD12 ' HG3' ' A' ' 32' ' ' ARG . 19.6 mt -89.48 141.22 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -123.45 114.01 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -129.21 126.89 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.734 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.7 ptpp? -117.82 146.71 43.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.3 142.52 7.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 5.6 m-85 -90.48 127.85 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -102.62 153.44 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -115.71 112.84 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.785 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.3 tp -99.36 124.17 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.2 m-85 -113.77 157.43 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -82.4 -28.0 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.27 154.11 39.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.61 54.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.92 -48.93 42.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -60.16 -49.46 77.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.557 0.217 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.42 128.8 55.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.572 HG22 ' CE ' ' A' ' 42' ' ' MET . 11.6 mt -112.41 145.2 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -136.38 107.57 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.76 113.94 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.7 mm -76.35 -70.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.02 160.72 41.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.507 ' HB2' HD23 ' A' ' 19' ' ' LEU . 1.8 t0 -131.41 111.2 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 13.5 tttt -100.14 145.67 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.34 148.83 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -150.41 96.29 3.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 mt -63.66 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 16' ' ' ARG . 55.9 mt -78.36 -13.91 59.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 70.87 41.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 33.2 ptt180 -128.97 -170.4 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.2 ttp180 -153.1 113.42 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.98 107.23 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -110.46 134.67 52.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' ILE . 23.0 m-20 -115.28 140.26 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.716 ' CD2' HD11 ' A' ' 39' ' ' LEU . 19.9 p90 -156.4 168.29 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 65' ' ' LYS . 18.3 mm -124.21 131.47 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -103.21 124.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -121.7 148.29 44.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.463 ' CE1' ' CD ' ' A' ' 30' ' ' PRO . 21.0 p90 -167.18 167.63 14.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.29 67.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.67 -141.82 7.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -52.14 152.84 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -80.92 137.85 50.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' CD ' ' CE1' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -75.03 146.53 32.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -94.0 148.27 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HG2' HG21 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -46.89 -34.35 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -64.12 -49.82 70.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.91 -55.64 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 21' ' ' PHE . 89.9 t -54.97 -35.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.718 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.12 -53.92 45.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.48 -42.71 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.546 ' HB3' HD12 ' A' ' 3' ' ' ILE . 13.0 tttm -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.716 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -58.14 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.2 -37.34 22.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.28 -38.12 60.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.572 ' CE ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -67.32 -47.62 70.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.84 5.4 48.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 m120 42.74 37.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -106.54 166.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.7 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -74.96 120.62 6.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -46.86 -50.39 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.11 -54.57 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 46' ' ' PRO . 47.2 mt -64.68 -25.81 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.47 136.12 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.2 t -139.11 158.73 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 12.7 mm -118.31 126.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -176.03 123.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.425 HD13 ' HA3' ' A' ' 66' ' ' GLY . 1.6 mm -84.41 143.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.7 110.9 14.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.458 HG23 ' OG ' ' A' ' 64' ' ' SER . 26.8 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.458 ' OG ' HG23 ' A' ' 57' ' ' THR . 25.2 m -134.09 130.94 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -115.45 151.68 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' HA3' HD13 ' A' ' 55' ' ' ILE . . . -162.44 126.21 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.65 120.79 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -102.69 154.78 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -120.52 112.68 19.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HB3' HD11 ' A' ' 19' ' ' LEU . 9.3 tp -96.87 124.75 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.516 ' N ' HD12 ' A' ' 70' ' ' LEU . 32.7 m-85 -110.95 158.39 18.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.23 -30.28 21.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.06 160.71 40.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.39 -40.63 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.05 -45.61 52.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -61.58 -50.71 71.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 ttp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.686 ' HE1' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.474 0.178 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.04 134.94 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.686 HD11 ' HE1' ' A' ' 1' ' ' MET . 10.3 mt -115.0 141.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.431 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 0.6 OUTLIER -131.63 105.67 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -58.3 116.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -80.0 -69.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -147.28 156.2 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 114.65 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -103.99 141.92 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -105.56 136.64 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -140.19 85.84 13.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.21 20.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 15.4 mt -75.69 -16.66 60.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 t-20 79.44 38.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 34.2 ptt180 -131.41 -170.2 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -150.87 121.84 7.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 16' ' ' ARG . 6.0 mm-40 -93.22 110.18 21.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -115.78 134.96 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.52 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 9.0 m-20 -115.59 138.67 50.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE2' ' CG1' ' A' ' 35' ' ' VAL . 53.9 p90 -156.02 164.41 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.705 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.0 mm -118.06 134.2 62.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.8 124.09 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -119.62 146.51 45.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.5 p90 -158.71 171.53 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.98 58.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.47 -141.77 7.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -46.81 139.89 5.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.653 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.8 m -71.22 143.77 88.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -74.99 156.82 43.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -95.85 167.83 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -66.7 -33.1 74.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 10.7 p30 -72.91 -36.64 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 48.1 m-20 -64.94 -44.74 88.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG22 ' HE2' ' A' ' 1' ' ' MET . 70.9 t -69.89 -37.64 73.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -49.49 74.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.8 m-20 -62.9 -42.33 99.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -59.87 -50.07 75.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.0 -53.66 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.76 -37.76 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.6 61.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.496 ' C ' HD23 ' A' ' 43' ' ' LEU . 77.1 mtp -68.16 -47.33 68.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.43 8.06 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 2.0 p-10 41.92 39.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -112.19 166.33 11.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.65 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.97 148.5 35.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -72.69 -49.52 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.33 -37.93 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.65 HD12 ' HG2' ' A' ' 46' ' ' PRO . 31.8 mt -81.92 -27.89 33.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.646 HD21 ' HB3' ' A' ' 39' ' ' LEU . 1.2 tp -82.47 134.32 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG21 ' SD ' ' A' ' 77' ' ' MET . 2.0 t -138.65 159.29 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.8 mm -118.98 126.33 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.2 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -176.78 124.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 53.6 mt -87.79 140.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 113.61 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -127.0 128.64 46.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.705 ' HB2' HD13 ' A' ' 22' ' ' ILE . 4.6 ptpp? -116.95 146.54 42.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.84 141.98 7.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.08 125.63 35.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -103.81 154.69 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -120.23 112.95 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.724 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.2 tp -100.54 123.19 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' N ' HD12 ' A' ' 70' ' ' LEU . 56.3 m-85 -110.95 165.66 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.2 -26.37 17.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.2 159.88 42.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.68 -40.44 20.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -49.55 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -51.32 66.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.455 ' SD ' HG21 ' A' ' 51' ' ' VAL . 3.9 ttp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.515 0.198 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.65 148.83 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 38' ' ' LYS . 5.1 mt -134.01 140.64 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 13.6 ptpt -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.71 107.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -68.97 -74.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -139.19 161.36 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.416 ' CG ' ' NH1' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -125.64 112.09 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 tttm -112.84 143.25 44.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -114.91 148.72 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -143.3 96.6 5.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.65 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.2 -64.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.73 -13.59 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 73.3 41.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 31.6 ptt180 -133.39 -172.59 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' NH1' ' CG ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -141.61 127.54 19.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.15 110.2 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -118.44 135.97 54.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 5.7 m-20 -118.0 143.22 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -160.11 166.36 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.769 HD13 ' HB2' ' A' ' 65' ' ' LYS . 6.7 mm -118.0 131.62 70.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.74 124.38 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -119.16 152.96 35.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.16 167.05 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.52 72.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.87 -142.03 8.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -56.84 151.08 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.454 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.4 m -74.39 139.59 75.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.454 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.06 166.84 28.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -97.88 166.89 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.58 82.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -67.24 -26.47 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.8 -53.69 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.62 -40.19 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -53.46 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.7 m-20 -54.21 -27.45 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HB3' HD12 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -73.48 -52.47 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -60.86 -53.27 59.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.508 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.68 -36.12 15.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.56 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.482 ' C ' HD23 ' A' ' 43' ' ' LEU . 9.5 mtm -69.13 -47.37 65.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.45 5.29 50.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.9 p-10 42.16 37.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -105.46 162.8 18.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.627 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 127.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.508 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -53.13 -47.86 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 12.9 pt-20 -46.47 -44.29 17.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.627 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -76.44 -25.4 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD12 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -82.62 136.8 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.14 158.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 mm -119.86 125.2 74.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 177.08 127.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -88.4 136.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.58 113.41 24.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.799 HG23 ' OG ' ' A' ' 64' ' ' SER . 7.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.6 tm-20 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.799 ' OG ' HG23 ' A' ' 57' ' ' THR . 67.9 m -129.77 137.96 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.769 ' HB2' HD13 ' A' ' 22' ' ' ILE . 2.9 ptpp? -124.04 143.58 50.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.37 141.03 7.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -86.65 131.01 34.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -108.62 154.23 22.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -120.63 114.06 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.728 ' HB3' HD11 ' A' ' 19' ' ' LEU . 11.8 tp -100.74 124.4 46.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 58.2 m-85 -113.05 160.98 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' C ' HD13 ' A' ' 49' ' ' LEU . 72.1 mt-10 -91.21 -33.73 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -136.46 156.35 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.44 -40.01 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -49.17 54.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -50.33 73.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.3 ttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.48 0.181 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.93 144.37 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.485 HD12 ' HB3' ' A' ' 38' ' ' LYS . 29.7 mt -132.21 136.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 8.9 ptpt -127.87 112.83 15.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.5 111.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.4 mm -71.98 -67.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -150.62 158.47 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.35 109.94 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttp -100.11 144.1 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -113.05 148.77 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -152.58 96.11 3.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -15.35 20.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.96 -59.01 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.98 -17.48 52.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.46 29.28 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 29.7 ptt180 -122.06 -170.96 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.13 120.05 7.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.452 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 67.1 mm-40 -91.73 104.08 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -109.41 134.08 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 27.6 m-20 -116.2 142.57 46.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 34.9 p90 -160.07 165.04 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 65' ' ' LYS . 16.0 mm -116.58 132.54 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.0 t -103.24 120.72 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -115.95 145.57 42.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.91 174.84 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.17 70.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.86 -147.97 18.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.76 133.1 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.719 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -64.85 145.72 98.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.97 145.14 31.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -88.6 153.92 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.948 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -56.02 -37.08 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -73.69 -25.18 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -48.82 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.54 -42.84 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.739 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -57.67 -51.98 67.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.463 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -56.51 -32.76 65.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HB3' HD12 ' A' ' 3' ' ' ILE . 10.0 tttm -71.1 -52.25 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.26 -53.77 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.64 -36.7 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.31 60.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.456 ' C ' HD23 ' A' ' 43' ' ' LEU . 52.5 mtp -67.82 -47.32 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.737 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.85 6.31 42.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.6 p-10 42.32 38.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -107.88 166.14 11.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.711 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 121.58 6.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.739 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -49.16 -48.86 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -45.35 -50.02 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 46' ' ' PRO . 38.9 mt -68.91 -25.93 64.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.66 137.16 34.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.28 161.37 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 68' ' ' ALA . 3.1 mm -121.0 128.03 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HB2' ' CE ' ' A' ' 69' ' ' LYS . 18.3 tt0 -71.54 -57.42 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.45 128.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 44.6 mt -92.12 141.13 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -123.55 110.85 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.691 HG23 ' OG ' ' A' ' 64' ' ' SER . 28.0 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.691 ' OG ' HG23 ' A' ' 57' ' ' THR . 67.6 m -138.33 135.19 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -120.73 145.85 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -158.78 130.87 2.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.43 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -82.45 120.56 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -98.96 156.93 16.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 53' ' ' GLN . 2.1 mtmp? -121.5 114.11 20.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.761 ' HB3' HD11 ' A' ' 19' ' ' LEU . 13.4 tp -101.76 124.28 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' N ' HD12 ' A' ' 70' ' ' LEU . 60.2 m-85 -111.95 168.48 9.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -95.78 -35.68 11.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -136.77 158.46 44.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -44.77 20.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.05 -44.24 41.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -62.16 -51.09 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ttp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.27 144.36 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 39' ' ' LEU . 20.2 mt -131.39 137.36 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.8 pttt -131.31 111.85 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -62.82 113.87 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.4 mm -75.64 -73.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -137.11 160.07 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -126.86 108.31 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' GLU . 8.5 tttt -112.18 141.03 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -112.66 148.77 33.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -138.49 95.4 10.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -16.25 20.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -64.99 -56.85 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 72.6 mt -85.17 -18.91 32.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 80.49 33.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -124.91 -174.91 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -140.75 125.46 18.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.3 mm-40 -94.58 107.17 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -116.42 134.43 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.482 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 12.4 m-20 -118.64 144.93 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.519 ' CD2' HG23 ' A' ' 3' ' ' ILE . 25.3 p90 -161.26 164.38 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.437 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 15.6 mm -114.21 133.37 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 t -102.63 117.62 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -114.29 155.0 27.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -168.14 -179.98 4.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.13 73.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.58 -141.13 9.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.3 159.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.631 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.8 m -85.03 143.34 39.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.6 Cg_endo -74.95 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.8 m -105.89 143.48 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -46.06 -37.69 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -65.2 -44.32 88.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -49.85 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.72 -39.62 85.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.751 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -59.2 -50.64 73.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.512 ' N ' HD11 ' A' ' 47' ' ' LEU . 4.0 m-20 -61.68 -32.4 72.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -66.85 -52.91 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.58 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -62.91 -53.17 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -48.71 -37.61 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.89 61.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.476 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.8 mmm -68.14 -47.17 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.56 5.3 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m120 44.6 38.84 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.538 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -112.14 165.59 12.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.616 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.04 139.24 23.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -62.86 -50.55 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.08 -49.03 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.616 HD12 ' HG2' ' A' ' 46' ' ' PRO . 27.6 mt -68.76 -27.18 65.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.65 HD12 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.62 138.77 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.4 t -139.14 159.13 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mm -121.0 125.17 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -68.17 -64.9 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -170.65 124.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.1 mt -91.25 139.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 118.26 25.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.64 HG23 ' OG ' ' A' ' 64' ' ' SER . 17.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.64 ' OG ' HG23 ' A' ' 57' ' ' THR . 70.9 m -126.65 134.49 50.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -120.81 141.25 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.16 137.98 5.21 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.482 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.4 m-85 -89.22 123.53 33.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -99.94 154.36 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -119.86 113.42 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.8 tp -100.19 125.62 46.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.441 ' N ' HD12 ' A' ' 70' ' ' LEU . 21.7 m-85 -108.69 158.14 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.46 -24.19 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -148.88 159.2 44.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -38.45 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -45.4 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -63.77 -47.28 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.5 ttp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.51 0.195 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 147.56 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 21' ' ' PHE . 81.2 mt -134.5 143.91 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.41 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 5.3 pttt -134.27 103.94 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.11 114.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.3 mm -76.59 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -146.73 155.9 42.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -125.12 110.05 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 9.8 tttt -100.07 144.73 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -110.31 148.73 31.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -148.36 96.85 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.63 20.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -67.07 -59.47 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.538 HD12 ' NE ' ' A' ' 16' ' ' ARG . 31.4 mt -84.1 -8.81 59.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.7 27.0 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' NE ' HD12 ' A' ' 14' ' ' LEU . 32.7 ptt180 -114.54 -169.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -151.89 119.01 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 39.8 mm-40 -90.66 105.89 18.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.33 133.95 53.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.562 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 25.3 m-20 -116.5 142.22 47.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.674 ' HD2' HG23 ' A' ' 3' ' ' ILE . 29.6 p90 -159.08 163.51 36.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.41 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 20.7 mm -113.95 134.09 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.487 HG22 ' CE2' ' A' ' 21' ' ' PHE . 3.0 t -102.85 128.89 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -126.19 150.47 48.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.8 p90 -162.83 176.06 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -134.12 60.9 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.55 -144.48 9.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.57 160.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.3 m -80.26 138.81 52.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 149.91 37.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -89.46 159.04 17.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 19.4 mtm105 -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -66.63 -24.33 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -46.94 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.8 t -65.69 -45.29 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.516 ' HG3' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -54.58 -48.85 71.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.0 m-20 -57.82 -36.76 72.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.6 tttp -67.7 -53.41 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.558 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.33 -53.46 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.545 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.84 -37.98 20.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.41 62.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.513 ' C ' HD23 ' A' ' 43' ' ' LEU . 40.5 mtp -67.51 -47.2 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.59 6.21 44.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.1 p30 42.39 39.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -108.31 164.83 13.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.636 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 130.12 12.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -53.98 -53.07 57.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.89 -54.64 4.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' HG2' ' A' ' 46' ' ' PRO . 22.8 mt -62.29 -29.32 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.14 137.03 35.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.577 ' C ' HD13 ' A' ' 52' ' ' ILE . 1.9 t -139.51 154.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.577 HD13 ' C ' ' A' ' 51' ' ' VAL . 9.4 mm -110.22 125.25 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -67.12 -57.94 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 177.53 121.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.3 mt -84.14 139.51 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -125.18 111.43 15.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.68 HG23 ' OG ' ' A' ' 64' ' ' SER . 11.6 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.68 ' OG ' HG23 ' A' ' 57' ' ' THR . 73.3 m -131.68 138.84 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -117.85 144.73 45.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.515 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.93 128.42 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -81.87 132.03 35.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.769 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -110.45 154.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -119.17 112.91 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.75 ' HB3' HD11 ' A' ' 19' ' ' LEU . 8.9 tp -99.25 124.67 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.528 ' N ' HD12 ' A' ' 70' ' ' LEU . 31.6 m-85 -111.09 160.08 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.89 -32.13 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.33 163.23 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.28 -38.02 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.62 -46.73 77.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.9 ttp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.962 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.97 134.43 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.512 HD12 ' HG2' ' A' ' 38' ' ' LYS . 5.4 mt -122.11 136.36 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 8.5 ptmt -130.6 113.88 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.0 mt -66.05 117.15 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -79.87 -70.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 155.0 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -125.73 111.98 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -102.99 145.61 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 3.8 tttt -112.01 148.99 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -151.61 96.09 3.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.45 19.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.97 -59.4 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 56.2 mt -82.5 -20.68 36.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.2 t-20 79.11 35.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 27.5 ptt180 -126.8 -172.37 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -148.05 116.84 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -88.3 105.94 17.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -111.38 134.36 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 35.7 m-20 -114.85 141.49 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.453 ' HE2' HG11 ' A' ' 35' ' ' VAL . 40.8 p90 -157.06 170.03 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 65' ' ' LYS . 26.6 mm -123.36 132.83 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 t -102.92 122.89 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -122.2 145.32 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -159.61 172.56 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -132.75 56.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -142.52 6.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.53 159.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -85.43 134.24 40.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.09 34.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.06 172.22 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -70.81 -29.29 65.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.07 -44.03 55.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -57.01 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.453 HG11 ' HE2' ' A' ' 21' ' ' PHE . 93.8 t -58.23 -35.05 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.767 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -62.52 -52.44 63.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.6 m-20 -59.03 -35.16 72.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HG2' HD12 ' A' ' 3' ' ' ILE . 3.6 tttm -64.54 -52.06 59.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -62.89 -53.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.41 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.61 61.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.464 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -69.48 -47.22 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.57 6.0 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 43.57 37.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.525 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.96 165.07 13.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.694 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 143.15 28.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -68.17 -49.27 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -46.19 -42.09 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' HG2' ' A' ' 46' ' ' PRO . 42.2 mt -77.0 -26.97 54.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.6 135.54 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.4 t -136.63 159.12 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 68' ' ' ALA . 4.8 mm -120.68 125.62 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -66.66 -59.52 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 179.86 124.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 mt -85.78 142.17 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -124.95 115.21 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.534 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.534 ' OG ' HG23 ' A' ' 57' ' ' THR . 7.2 m -111.79 131.81 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.678 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.6 ptpp? -117.32 146.22 43.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.41 144.42 9.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.9 m-85 -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -100.83 159.39 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -124.46 112.93 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.801 ' HB3' HD11 ' A' ' 19' ' ' LEU . 11.5 tp -100.95 123.34 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.4 m-85 -110.22 165.25 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.37 -25.53 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -155.56 159.05 39.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.97 33.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.01 -44.54 41.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -49.15 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 ttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.528 0.204 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.25 131.32 53.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.662 HD11 HG13 ' A' ' 35' ' ' VAL . 28.5 mt -113.98 149.05 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.72 116.0 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.88 113.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.23 -67.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.03 160.65 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.48 109.49 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 ttpp -97.28 145.6 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 12.1 tttt -102.83 139.49 38.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -140.56 82.46 16.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -19.79 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.28 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.49 -10.97 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.23 34.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -126.47 -171.14 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.28 124.1 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.47 105.96 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.703 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -112.3 134.59 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -117.97 138.89 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -154.42 171.62 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.649 HD13 ' HB2' ' A' ' 65' ' ' LYS . 14.4 mm -123.71 133.92 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 t -104.12 119.56 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' CG ' ' HG2' ' A' ' 63' ' ' GLU . 7.5 mttm -113.7 155.36 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.506 ' OH ' ' CG2' ' A' ' 57' ' ' THR . 19.3 p90 -173.43 168.31 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.89 86.84 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.44 158.97 31.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t 58.29 161.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 m -120.79 119.8 29.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.88 25.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 m -83.09 162.22 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.662 ' HG2' HD12 ' A' ' 55' ' ' ILE . 7.4 mtt85 -58.25 -48.69 79.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 13.7 p30 -56.08 -33.21 64.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -71.35 -51.74 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 3' ' ' ILE . 44.6 t -62.52 -41.69 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -51.14 65.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.6 m-20 -56.28 -33.01 65.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' HD12 ' A' ' 3' ' ' ILE . 3.2 tttt -66.69 -46.74 74.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.489 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -69.93 -53.58 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.63 -38.03 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.99 -37.96 61.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.474 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -67.58 -47.34 70.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.1 4.76 44.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 m120 44.84 38.94 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -111.25 165.1 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.665 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 138.48 23.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.548 1.815 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -63.94 -50.9 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -45.17 -42.95 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.665 HD12 ' HG2' ' A' ' 46' ' ' PRO . 23.4 mt -75.08 -28.82 60.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -82.22 138.5 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.5 t -138.97 159.6 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mm -120.28 127.56 75.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.1 -54.67 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.58 127.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.662 HD12 ' HG2' ' A' ' 32' ' ' ARG . 44.4 mt -93.56 143.37 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -124.67 110.85 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.506 ' CG2' ' OH ' ' A' ' 25' ' ' TYR . 25.4 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' A' ' 57' ' ' THR . 34.3 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.476 ' HG ' ' HE1' ' A' ' 25' ' ' TYR . 2.9 m -146.87 121.55 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HB2' HD13 ' A' ' 22' ' ' ILE . 8.1 ptpp? -119.02 143.83 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.63 143.54 8.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.48 135.67 33.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -113.26 159.68 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.7 mtmt -124.47 113.06 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.703 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.5 tp -101.05 122.6 43.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 13.2 m-85 -110.96 166.16 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -135.89 161.76 34.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.58 -37.26 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.28 -46.18 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -50.23 70.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.642 ' SD ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.497 0.189 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -116.4 110.62 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' A' ' 38' ' ' LYS . 26.9 mt -103.33 134.2 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.404 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmm? -128.63 109.01 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.81 116.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.28 -68.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 154.23 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.64 112.62 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -99.82 142.05 31.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 16.2 tttt -105.07 138.08 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -145.03 82.88 9.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.35 -63.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 12.5 mt -74.09 -19.47 60.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER 81.44 42.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 12.6 ptp180 -140.01 -168.96 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -95.82 107.46 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -114.74 136.14 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -118.72 139.25 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 22.6 p90 -151.82 172.66 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 65' ' ' LYS . 32.5 mm -123.01 131.41 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' SER . 4.8 t -102.76 124.69 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -128.09 157.4 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 28' ' ' SER . 4.9 p90 -169.83 160.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.64 60.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 166.0 14.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 16.3 t 57.99 160.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 117.52 31.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.48 26.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -82.49 169.24 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.895 ' HG3' HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -62.95 -37.15 85.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' A' ' 34' ' ' ASP . 2.2 p-10 -63.63 -48.98 75.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 67.4 m-20 -57.3 -46.39 83.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.642 HG22 ' SD ' ' A' ' 1' ' ' MET . 73.3 t -66.91 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.724 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -59.47 -52.88 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.519 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.4 m-20 -54.03 -35.18 61.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.599 ' HB3' HD12 ' A' ' 3' ' ' ILE . 4.2 tttp -67.77 -51.97 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.541 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -60.92 -53.52 56.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 45' ' ' ALA . . . -49.18 -37.07 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.75 61.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -67.37 -47.16 71.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.46 6.04 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.5 m120 44.68 39.26 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -113.43 164.81 14.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.638 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.461 1.769 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -66.68 -50.74 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.31 -44.86 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.638 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.2 mt -74.01 -27.23 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.41 138.33 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.0 t -139.26 156.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 mm -117.5 127.23 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -68.06 -66.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.54 123.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.895 HD12 ' HG3' ' A' ' 32' ' ' ARG . 23.8 mt -90.04 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -124.83 115.6 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.727 HG23 ' OG ' ' A' ' 64' ' ' SER . 5.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.727 ' OG ' HG23 ' A' ' 57' ' ' THR . 18.9 m -113.26 131.04 56.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.607 ' HB2' HD13 ' A' ' 22' ' ' ILE . 3.7 ptpp? -118.51 141.41 48.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.23 143.35 8.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.6 145.52 26.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -122.79 154.49 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -119.43 114.03 21.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.1 tp -100.16 124.29 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 69.2 m-85 -115.57 158.7 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.06 -32.51 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -136.17 156.45 48.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -81.55 -31.66 32.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.59 -53.42 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -45.35 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.2 ttp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.499 0.19 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.14 131.68 53.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.614 HG23 ' HD2' ' A' ' 21' ' ' PHE . 72.1 mt -117.42 145.46 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.436 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.2 pttt -133.3 112.56 11.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.3 110.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.456 HG22 ' HD2' ' A' ' 7' ' ' LYS . 3.4 mm -72.22 -69.15 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HD2' HG22 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -145.2 159.68 42.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -127.82 111.81 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.0 tttt -108.63 144.11 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 8.2 tttt -112.81 148.07 35.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -139.46 95.14 9.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.9 20.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.821 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.9 mt -68.29 -63.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.625 HD13 ' NH2' ' A' ' 16' ' ' ARG . 83.4 mt -78.01 -15.0 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 72.76 45.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.625 ' NH2' HD13 ' A' ' 14' ' ' LEU . 11.9 ptp180 -136.56 -172.36 3.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -145.67 119.72 9.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.6 115.34 27.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -120.55 134.43 55.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 2.1 m-20 -118.37 139.29 51.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.614 ' HD2' HG23 ' A' ' 3' ' ' ILE . 35.5 p90 -156.5 169.91 23.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.717 HD13 ' HB2' ' A' ' 65' ' ' LYS . 32.1 mm -120.77 134.25 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -102.81 121.47 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -117.88 151.68 36.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 6.9 p90 -163.21 171.8 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -130.96 57.88 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.72 -142.1 8.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.59 139.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -74.56 141.02 75.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 148.53 35.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 m -90.33 166.86 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.59 -43.06 95.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -66.76 -25.8 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.92 -46.42 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.97 -41.65 81.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.411 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -57.67 -53.95 52.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.8 m-20 -56.78 -38.77 72.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -63.45 -53.17 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD23 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -60.29 -53.9 52.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.45 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -36.4 60.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' LEU . 80.6 mtp -68.27 -46.04 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.62 HD11 HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -92.88 7.69 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 2.1 p-10 41.82 37.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -106.86 164.57 14.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.678 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.5 Cg_endo -75.03 143.46 29.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.58 -50.11 54.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.5 pm0 -45.3 -37.19 4.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 ' HG2' ' A' ' 46' ' ' PRO . 32.9 mt -83.52 -29.18 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.42 125.2 30.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG21 ' HE2' ' A' ' 71' ' ' TYR . 3.4 t -129.74 161.62 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.416 HD13 ' HB2' ' A' ' 68' ' ' ALA . 13.0 mm -118.9 130.01 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -72.22 -62.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.46 124.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 32.5 mt -90.78 144.11 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -125.05 115.48 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.924 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.8 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.924 ' OG ' HG23 ' A' ' 57' ' ' THR . 50.9 m -127.01 132.77 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.717 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.4 ptpp? -117.52 144.84 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.02 140.07 6.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.505 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.53 132.56 34.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 111.015 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -112.52 154.14 26.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.87 112.85 19.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.74 ' HB3' HD11 ' A' ' 19' ' ' LEU . 15.7 tp -99.36 123.39 43.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.9 m-85 -106.82 163.75 12.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.21 -36.61 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -131.76 163.91 27.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -42.22 17.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -51.05 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -53.01 60.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.524 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.7 tmm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.504 0.193 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.02 124.24 46.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 39' ' ' LEU . 5.2 mt -108.2 144.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.28 112.55 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 mt -65.72 113.82 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.0 mm -76.49 -70.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -148.52 153.61 38.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' OD2' ' NH2' ' A' ' 17' ' ' ARG . 2.5 t0 -123.66 114.14 19.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 tttt -103.61 145.91 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -109.59 148.55 31.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.413 ' ND2' HD12 ' A' ' 14' ' ' LEU . 40.8 t-20 -151.69 95.84 3.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.77 20.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.6 mt -65.51 -63.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.413 HD12 ' ND2' ' A' ' 11' ' ' ASN . 23.5 mt -78.63 -5.85 54.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.9 32.58 15.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.8 ptt180 -124.68 -174.58 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -146.09 119.92 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -114.62 133.65 55.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.549 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 8.1 m-20 -112.98 138.25 50.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -153.15 172.36 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 11.8 mm -129.95 128.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 18.9 t -102.42 114.95 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 63' ' ' GLU . 5.7 mttm -113.47 147.4 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 6.1 p90 -158.64 160.46 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -102.92 68.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.8 165.18 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 t 57.76 160.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -120.2 119.59 30.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.38 28.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.6 m -83.76 174.82 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.845 ' HG3' HD12 ' A' ' 55' ' ' ILE . 8.7 mpt_? -68.55 -41.2 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -61.16 -40.56 94.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -50.42 64.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -62.24 -38.47 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.688 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.39 -50.28 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.6 m-20 -54.5 -41.57 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.5 tttp -61.27 -53.17 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -60.6 -53.92 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -49.45 -37.63 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.64 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.525 ' C ' HD23 ' A' ' 43' ' ' LEU . 61.9 mtp -68.07 -47.42 68.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.04 5.37 46.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 m120 43.89 37.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.37 163.36 17.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 129.82 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -53.25 -52.13 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.64 -53.21 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HG2' ' A' ' 46' ' ' PRO . 21.0 mt -64.44 -28.14 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.36 138.38 34.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.0 t -139.38 156.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mm -117.19 122.16 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -65.46 -53.33 44.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 175.49 127.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.845 HD12 ' HG3' ' A' ' 32' ' ' ARG . 15.3 mt -90.11 144.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' LYS . 1.8 mtmt -125.09 113.44 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.797 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.5 m . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.797 ' OG ' HG23 ' A' ' 57' ' ' THR . 58.6 m -153.07 146.47 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -119.53 163.58 17.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.66 139.91 4.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.35 130.22 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -109.05 154.45 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -120.5 112.72 19.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.763 ' HB3' HD11 ' A' ' 19' ' ' LEU . 7.1 tp -98.48 126.02 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' N ' HD12 ' A' ' 70' ' ' LEU . 46.9 m-85 -112.77 154.61 25.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -76.88 -34.67 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.87 164.77 29.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -81.77 -35.18 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.62 -51.97 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -47.4 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.431 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 25.3 ttp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.529 0.204 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.06 130.91 56.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.503 HD12 ' HB3' ' A' ' 38' ' ' LYS . 6.8 mt -114.59 143.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.406 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -134.39 109.61 8.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 mt -60.57 112.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' ASP . 10.4 mm -74.96 -74.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.66 160.55 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -127.9 111.61 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.3 tttp -111.13 143.28 42.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.8 tttt -113.73 147.35 38.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -141.59 93.77 7.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.42 20.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -63.39 -60.02 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 82.3 mt -82.39 -20.11 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.3 t-20 82.03 33.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 23.7 ptt180 -124.47 -173.98 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.71 124.57 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -95.71 110.41 22.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -118.34 134.76 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.513 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 7.3 m-20 -117.2 140.23 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -154.84 161.09 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.66 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.2 mm -113.7 134.41 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 10.8 t -102.55 125.68 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -126.46 144.21 50.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 6.9 p90 -161.99 175.31 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.1 85.18 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -141.31 12.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -51.51 159.43 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.783 . . . . 0.0 110.013 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.736 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -84.45 145.84 46.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.736 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 161.37 38.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 m -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -45.83 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -61.28 -39.89 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -46.67 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.85 -37.4 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -64.46 -53.26 51.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.8 m-20 -56.41 -37.64 70.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -62.5 -51.65 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.579 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.81 -53.08 60.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.78 -36.75 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.42 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.481 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -68.32 -47.21 68.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.23 5.82 43.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 43.43 38.1 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.93 166.64 10.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.618 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 150.7 38.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -74.07 -49.21 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -46.84 -39.24 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.8 mt -79.86 -27.54 40.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 39' ' ' LEU . 2.5 tp -82.74 135.79 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -138.71 161.47 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.424 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 8.3 mm -120.33 125.95 74.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -69.84 -58.5 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.87 126.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -92.01 142.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.02 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m -116.14 131.01 57.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.66 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.5 ptpp? -120.69 140.08 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 138.88 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -84.42 138.29 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.61 154.45 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -119.97 114.71 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.689 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.9 tp -100.01 123.69 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 77' ' ' MET . 23.7 m-85 -109.15 151.14 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -88.62 -31.04 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.72 135.14 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.11 -39.88 93.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -49.68 -50.97 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -56.36 -53.47 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.513 ' HG3' ' CE2' ' A' ' 71' ' ' TYR . 3.2 tmm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.431 ' HE2' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.85 139.5 50.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.691 HG23 ' HD2' ' A' ' 21' ' ' PHE . 67.3 mt -127.05 143.79 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 7.8 ptpt -131.89 115.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.79 105.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -67.54 -69.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 160.68 42.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.24 108.31 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 3.9 tttm -95.26 148.14 22.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.49 146.92 37.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -149.24 92.4 4.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.95 -64.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 14.9 mt -76.71 -21.53 55.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 79.75 32.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' CZ ' ' CD1' ' A' ' 14' ' ' LEU . 34.6 ptt180 -122.99 -170.52 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -150.4 120.48 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.82 101.92 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.778 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -108.08 134.21 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.14 142.53 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.691 ' HD2' HG23 ' A' ' 3' ' ' ILE . 22.1 p90 -158.98 169.86 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.56 HD13 ' HB2' ' A' ' 65' ' ' LYS . 19.7 mm -120.53 133.5 67.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -103.01 128.01 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -125.57 148.34 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -161.68 173.44 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -129.95 71.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.3 -148.87 20.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.55 134.6 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.756 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -63.55 146.59 96.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.756 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -75.06 161.34 38.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -97.06 141.89 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.94 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HG3' HD12 ' A' ' 55' ' ' ILE . 7.6 mtp180 -47.23 -35.12 7.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -68.55 -40.14 80.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -44.06 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.03 -41.23 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -52.66 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -58.53 -36.35 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HG2' HD12 ' A' ' 3' ' ' ILE . 3.4 tttp -64.64 -53.02 54.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.513 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -60.27 -53.54 56.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.75 -37.08 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.17 -37.61 61.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 32.1 mtp -66.54 -47.29 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.788 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.24 5.82 47.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 m120 44.2 38.63 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.82 166.7 10.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.657 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 146.8 33.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.54 -49.59 39.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.22 -39.43 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.657 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -79.4 -28.24 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.65 129.54 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.073 . . . . 0.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.1 t -133.11 157.4 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 68' ' ' ALA . 3.1 mm -118.66 125.24 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -66.9 -56.86 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.48 130.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.572 HD12 ' HG3' ' A' ' 32' ' ' ARG . 26.1 mt -91.45 142.23 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -125.04 117.47 24.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.708 HG23 ' OG ' ' A' ' 64' ' ' SER . 14.9 m -92.61 137.6 32.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -84.22 176.83 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' A' ' 61' ' ' MET . 20.7 m-85 -93.53 115.97 28.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 40.36 47.16 3.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' GLN . 1.2 mtm -123.62 4.48 8.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' MET . 7.5 mm100 38.11 57.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -164.24 132.15 3.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.708 ' OG ' HG23 ' A' ' 57' ' ' THR . 72.5 m -134.11 136.53 43.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -115.09 154.6 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -168.51 128.82 1.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -111.24 155.62 22.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -121.04 112.92 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' A' ' 19' ' ' LEU . 8.7 tp -99.3 125.3 44.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.539 ' N ' HD12 ' A' ' 70' ' ' LEU . 49.2 m-85 -113.12 157.46 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.04 -23.82 24.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -153.68 153.72 32.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.62 -36.96 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -48.97 -36.5 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 80' ' ' VAL . 2.4 mmt180 -74.73 -47.49 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.3 ttp -51.71 -35.51 43.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -70.27 -58.54 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -55.86 -40.56 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 76' ' ' ARG . 97.3 t -60.47 -48.18 89.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -6.83 52.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.99 -2.61 55.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.41 -30.86 47.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.32 25.5 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 85' ' ' VAL . 40.1 t -115.94 -0.25 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.54 80.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -128.1 147.31 50.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -115.5 171.62 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -162.45 39.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -164.66 155.52 14.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.658 HG22 ' HD2' ' A' ' 92' ' ' PRO . 1.5 p -57.26 142.31 75.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.658 ' HD2' HG22 ' A' ' 91' ' ' VAL . 18.1 Cg_endo -75.04 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.94 -127.54 0.1 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.6 t -143.44 -137.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 0.81 . . . . 0.0 109.951 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -168.99 136.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 179.18 132.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -157.25 144.63 18.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.63 152.35 6.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -138.72 -150.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.259 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.602 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 1.7 tt0 175.91 155.28 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.514 0.197 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.42 130.36 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 38' ' ' LYS . 44.3 mt -116.02 138.93 44.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 4.2 ptpt -129.72 110.86 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.14 112.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.32 -69.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -147.41 157.43 43.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.18 114.28 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -104.5 139.31 39.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 134.25 47.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -142.4 85.84 10.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -15.34 20.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt -61.17 -56.96 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.79 2.26 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 m120 58.77 44.96 16.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 34.2 ptt180 -139.35 -169.04 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.57 124.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -94.86 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -116.36 134.3 55.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 27.2 m-20 -114.65 141.16 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -156.86 167.75 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 134.14 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.2 t -102.87 124.29 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -124.71 149.43 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -171.51 171.82 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.61 90.89 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.18 -144.4 16.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.23 139.3 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.474 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.7 m -77.29 139.34 64.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.03 157.26 42.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.88 161.4 13.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -58.86 -31.7 68.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -67.12 -52.24 44.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -55.79 -50.34 70.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.81 -38.11 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.621 ' HB3' HD21 ' A' ' 47' ' ' LEU . 7.1 mtt180 -60.68 -53.17 60.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -59.46 -36.53 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HB3' HD12 ' A' ' 3' ' ' ILE . 6.4 tttp -61.26 -51.08 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -64.57 -53.46 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.98 -36.46 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.99 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.498 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.03 -47.18 72.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.82 3.58 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m120 45.41 39.97 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.98 166.06 11.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.621 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.05 131.91 14.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -56.08 -51.34 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.28 -51.04 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.621 HD12 ' HG2' ' A' ' 46' ' ' PRO . 25.7 mt -66.92 -27.19 67.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.695 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.52 137.1 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.2 t -139.34 158.24 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -118.68 127.46 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -68.37 -69.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -166.97 123.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.2 mt -87.99 141.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -125.0 111.44 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.65 HG23 ' OG ' ' A' ' 64' ' ' SER . 14.3 m -91.88 137.41 32.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -97.31 -177.61 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 104.91 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.58 -13.3 8.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.447 1.092 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' GLN . 19.5 ptp -124.93 1.46 8.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 61' ' ' MET . 25.3 mm100 37.11 60.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.94 138.79 32.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.65 ' OG ' HG23 ' A' ' 57' ' ' THR . 24.4 m -127.19 130.71 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -115.68 147.4 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.01 136.83 4.28 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -85.47 142.08 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -119.94 153.99 35.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -119.21 112.88 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.695 HD13 HD12 ' A' ' 50' ' ' LEU . 14.1 tp -99.53 123.13 43.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 68.9 m-85 -112.81 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.44 -36.15 10.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 76' ' ' ARG . 19.1 m-20 -131.02 156.52 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 -38.62 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.03 -47.7 77.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.884 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.99 -50.86 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.1 ttp -50.92 -35.32 32.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -69.38 -58.99 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -58.05 -34.15 69.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 76' ' ' ARG . 89.5 t -65.8 -47.62 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -6.8 35.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.6 tt0 -81.68 -0.97 45.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -30.8 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.89 27.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.474 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.0 t -112.74 -140.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.474 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -43.1 97.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 85' ' ' VAL . 1.6 pttt -124.28 164.25 19.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -102.47 178.21 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -149.84 53.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -166.09 121.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 p -46.52 122.7 6.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.88 39.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.83 -128.24 0.19 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.5 t 171.58 118.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -144.2 143.17 30.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.7 p -119.5 -143.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.41 135.45 8.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.94 104.16 1.82 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -174.22 139.76 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.16 153.98 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.27 134.4 54.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 38' ' ' LYS . 44.1 mt -122.52 133.53 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.29 108.46 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.93 117.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.8 mm -81.54 -71.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -145.28 152.13 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -123.78 113.25 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttm -100.87 148.75 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.97 144.21 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -147.77 89.87 5.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.37 20.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.45 -64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 11.3 mt -74.7 -21.68 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.9 t-20 80.84 40.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 14' ' ' LEU . 32.8 ptt180 -133.63 -166.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -154.47 118.61 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.54 105.64 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.33 135.11 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 15.3 m-20 -114.82 138.22 51.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.475 ' CD1' HD11 ' A' ' 39' ' ' LEU . 54.6 p90 -153.09 164.17 38.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 65' ' ' LYS . 9.9 mm -116.53 133.76 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.22 123.02 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -123.42 146.43 48.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' HH ' HG23 ' A' ' 57' ' ' THR . 8.2 p90 -163.47 169.74 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -124.83 75.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.33 -142.06 9.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -50.28 159.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.691 HG23 ' HD2' ' A' ' 30' ' ' PRO . 3.0 m -86.96 144.93 37.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 150.65 38.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 m -86.7 156.42 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -58.34 -32.14 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -74.86 -27.81 60.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.8 -53.65 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG11 ' CE2' ' A' ' 21' ' ' PHE . 69.8 t -59.94 -40.14 82.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -50.0 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.5 m-20 -62.66 -35.33 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.548 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.1 tttp -65.54 -51.43 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.34 -53.63 49.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.89 -37.84 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.83 62.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.507 ' C ' HD23 ' A' ' 43' ' ' LEU . 74.0 mtp -67.77 -47.25 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.51 7.57 35.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.7 p-10 42.16 38.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.87 166.42 10.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.667 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 146.06 32.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.4 -48.33 50.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.47 -37.24 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.667 HD12 ' HG2' ' A' ' 46' ' ' PRO . 35.2 mt -83.22 -27.37 30.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.64 135.17 35.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 3.8 t -137.83 161.97 32.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.3 mm -119.63 128.47 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -71.63 -62.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -174.99 121.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.2 mt -87.35 139.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -124.59 114.77 19.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.609 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.4 m -85.31 131.39 34.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.67 160.85 14.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -116.64 100.53 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.58 -27.52 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -148.56 24.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 0.795 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.542 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER 36.26 51.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -111.05 123.78 50.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.609 ' OG ' HG23 ' A' ' 57' ' ' THR . 4.8 m -112.48 130.3 56.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.8 ptpp? -117.79 139.85 50.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.49 138.64 5.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.435 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.8 m-85 -86.49 125.08 33.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -101.04 156.76 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -122.29 113.05 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.7 tp -99.73 123.89 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' N ' HD12 ' A' ' 70' ' ' LEU . 46.5 m-85 -112.95 161.74 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.74 -36.25 14.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -138.0 145.34 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.43 -41.4 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -36.58 26.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.916 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 mmt180 -70.21 -50.79 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.0 ttp -50.98 -38.46 51.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -64.24 -60.28 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -57.19 -36.05 70.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 76' ' ' ARG . 99.1 t -64.12 -50.43 76.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -74.87 -6.69 50.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -78.62 -4.86 50.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -84.16 -30.28 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.423 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 1.6 t80 -89.67 27.32 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.2 t -115.69 -138.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -59.69 84.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -92.81 152.46 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.89 174.19 13.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -162.3 49.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.14 127.53 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.47 114.39 49.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -166.29 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.91 -123.16 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t 168.9 121.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.783 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -171.67 143.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.1 p -102.23 -142.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.365 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -153.64 164.53 38.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.12 123.51 2.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -174.39 139.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.55 171.68 7.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.522 0.201 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.39 133.16 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.55 HD12 ' HB3' ' A' ' 38' ' ' LYS . 46.3 mt -121.79 139.77 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -129.76 106.48 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.75 113.44 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ASP . 7.9 mm -76.23 -73.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.56 153.86 42.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' HB2' HD23 ' A' ' 19' ' ' LEU . 1.4 t0 -123.85 113.81 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.5 tttp -100.78 146.83 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 7.7 tttt -113.65 148.69 35.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -153.82 93.84 2.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.32 20.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.16 -63.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 85.9 mt -79.3 -17.91 53.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 5.2 t-20 76.06 43.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -131.55 -168.36 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -156.4 115.59 3.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -89.63 110.6 21.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -114.27 134.53 54.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 3.9 m-20 -114.39 141.12 48.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CD2' HG23 ' A' ' 3' ' ' ILE . 40.4 p90 -158.43 163.79 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' A' ' 65' ' ' LYS . 48.7 mm -115.65 134.28 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 t -102.83 125.18 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -124.95 145.07 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -160.63 177.06 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.78 81.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.85 -147.22 18.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.54 144.1 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.743 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.9 m -67.98 146.31 98.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.04 167.13 27.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 m -101.96 149.62 24.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.27 -46.13 72.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -62.22 -32.44 73.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.28 -42.94 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.03 -41.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -61.92 -46.68 88.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.1 m-20 -61.76 -29.67 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.55 ' HB3' HD12 ' A' ' 3' ' ' ILE . 5.4 tttp -70.65 -52.69 19.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.579 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.17 -53.49 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.79 -36.41 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.52 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.463 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -67.35 -47.28 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.779 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.69 5.58 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 m120 44.64 38.44 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.28 166.01 11.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.651 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 145.85 32.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -70.53 -50.3 39.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -38.71 6.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.651 HD12 ' HG2' ' A' ' 46' ' ' PRO . 28.7 mt -80.9 -29.73 35.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.44 124.37 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 2.6 t -127.84 159.72 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 68' ' ' ALA . 2.6 mm -119.06 129.14 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -71.41 -65.91 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.73 127.68 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.8 mt -92.15 143.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 114.52 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.49 HG23 ' OG ' ' A' ' 64' ' ' SER . 3.1 m -83.41 132.29 34.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -99.88 169.27 9.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.0 111.48 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.86 -31.06 1.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' GLN . 2.2 ptt? -142.29 23.34 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 0.778 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER 36.4 58.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm-20 -122.0 132.26 54.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.49 ' OG ' HG23 ' A' ' 57' ' ' THR . 8.3 m -119.19 134.62 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.618 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.0 ptpp? -120.08 143.16 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.97 139.69 6.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.9 136.13 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -113.65 157.0 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -121.37 113.04 19.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.651 ' HB3' HD11 ' A' ' 19' ' ' LEU . 9.3 tp -99.71 125.65 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.528 ' N ' HD12 ' A' ' 70' ' ' LEU . 38.2 m-85 -113.52 156.1 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.33 -22.15 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.62 157.07 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.8 -37.39 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.18 -48.37 73.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.867 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.79 -50.74 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.8 ttp -50.94 -36.8 40.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -67.7 -58.31 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -58.59 -31.88 68.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 76' ' ' ARG . 85.1 t -69.34 -55.31 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -6.88 34.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 42.4 tt0 -93.65 -3.52 52.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.22 -37.54 57.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.21 26.86 2.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.483 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.5 t -120.89 -135.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.483 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -64.55 76.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -82.5 155.33 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.41 -177.13 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -109.9 46.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -165.97 177.38 7.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.1 t -72.61 121.19 84.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -177.46 3.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.587 1.835 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.86 -74.82 1.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t 74.41 118.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.771 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.34 138.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 97' ' ' GLU . 8.8 t -133.57 -144.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.478 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.501 ' N ' HG23 ' A' ' 96' ' ' THR . 17.2 pt-20 -173.57 177.14 2.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.87 -174.01 13.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -173.88 139.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.64 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 2.7 pt-20 -99.58 131.57 45.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.468 0.175 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.98 142.43 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 38' ' ' LYS . 51.4 mt -127.28 145.45 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmt -135.72 111.33 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.21 112.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.31 -70.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -148.42 154.8 40.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -124.34 111.18 15.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -102.22 148.1 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -114.83 148.75 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -147.91 95.94 4.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.69 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 50.4 mt -79.31 -23.5 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 81.84 40.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 36.0 ptt180 -128.1 -171.0 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.58 115.32 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 16' ' ' ARG . 33.2 mm-40 -88.18 103.36 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -108.09 133.91 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 8.6 m-20 -115.54 140.54 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 52.9 p90 -157.26 165.58 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.6 mm -119.86 133.92 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -102.92 125.9 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -122.1 146.4 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.8 p90 -160.56 179.35 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.64 68.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.08 -149.77 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.41 131.25 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 1.2 t -55.33 147.42 37.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.0 173.79 13.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.5 m -105.93 150.8 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.514 ' HG3' HD12 ' A' ' 55' ' ' ILE . 3.9 mtp180 -51.54 -38.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.19 -49.59 71.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.24 -49.34 76.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.7 -35.28 74.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.37 -53.09 48.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -57.87 -29.35 64.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.542 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.9 tttp -69.78 -52.64 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.758 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -60.8 -53.56 55.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.95 -36.79 18.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.19 -37.75 61.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -68.27 -47.27 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.79 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.23 6.88 40.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.5 p-10 42.23 38.23 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.27 165.89 11.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.636 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -65.81 -50.16 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -44.57 -40.26 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' HG2' ' A' ' 46' ' ' PRO . 30.6 mt -80.66 -30.51 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.758 HD21 ' HB3' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -82.74 113.72 20.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 52' ' ' ILE . 9.7 t -119.23 165.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG12 ' NE ' ' A' ' 36' ' ' ARG . 2.9 mm -120.32 132.29 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.85 -52.91 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.8 125.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.514 HD12 ' HG3' ' A' ' 32' ' ' ARG . 16.6 mt -91.26 142.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 114.09 18.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.452 HG23 ' OG ' ' A' ' 64' ' ' SER . 23.9 m -90.1 138.72 31.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -112.96 169.17 9.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -126.14 109.52 12.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.88 -34.73 0.67 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' GLN . 8.3 ptt? -139.06 24.13 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 0.723 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER 36.56 57.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -119.64 139.16 52.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.452 ' OG ' HG23 ' A' ' 57' ' ' THR . 24.3 m -131.5 130.81 42.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.626 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -117.26 151.93 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -170.9 128.1 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -80.65 134.55 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.6 154.43 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -118.41 112.89 20.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.743 ' HB3' HD11 ' A' ' 19' ' ' LEU . 15.5 tp -100.08 123.47 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.3 m-85 -105.06 152.18 23.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.5 -30.87 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -143.41 158.96 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -79.14 -40.93 29.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -50.9 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 1.048 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.83 -53.18 58.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.514 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.8 tmm? -49.06 -52.99 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -53.95 -50.37 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.18 -34.29 77.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.048 HG23 ' O ' ' A' ' 76' ' ' ARG . 57.7 t -66.39 -44.58 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -6.91 52.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.54 -1.02 44.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -84.65 -35.13 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.72 25.82 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.768 HG13 ' N ' ' A' ' 86' ' ' LEU . 2.4 p -84.06 -148.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.768 ' N ' HG13 ' A' ' 85' ' ' VAL . 4.1 mt -39.76 115.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -137.91 150.49 47.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.71 -172.67 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -148.52 49.49 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.01 128.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 92' ' ' PRO . 74.1 t -74.24 143.03 79.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 91' ' ' VAL . 18.4 Cg_endo -74.96 -174.86 2.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.98 -79.05 1.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.6 t 71.22 122.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -177.21 163.66 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.4 p -125.37 -143.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.16 134.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.61 139.21 5.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.09 -151.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 1.7 tt0 -178.3 127.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.43 138.09 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.556 HG21 HD12 ' A' ' 39' ' ' LEU . 5.6 mt -124.08 130.72 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 1.9 ptmt -124.21 113.33 18.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -64.39 117.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' CG1' HG12 ' A' ' 22' ' ' ILE . 3.5 mm -79.67 -68.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -148.34 153.15 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' HB2' HD23 ' A' ' 19' ' ' LEU . 2.8 t0 -123.72 113.9 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.3 tttp -100.12 147.15 25.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.96 144.12 32.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -153.06 82.33 4.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.81 18.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.2 mt -60.35 -57.81 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.637 ' O ' HG21 ' A' ' 80' ' ' VAL . 11.2 mt -84.6 2.01 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 57.72 46.61 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HD3' HD12 ' A' ' 14' ' ' LEU . 1.1 ptm180 -140.75 -169.9 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -154.23 125.27 7.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.51 107.63 20.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -113.67 136.78 52.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.541 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 10.1 m-20 -116.34 137.15 52.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 46.5 p90 -151.0 165.73 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.554 HD13 ' HB2' ' A' ' 65' ' ' LYS . 30.2 mm -118.46 133.9 63.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.0 123.25 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -121.94 148.07 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.06 172.68 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.76 63.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.71 -140.83 7.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -48.73 160.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.706 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -86.78 145.11 38.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.5 Cg_endo -74.97 158.64 42.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.82 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.4 m -98.71 150.25 22.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -49.19 -42.31 39.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -63.73 -43.25 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.5 -46.39 90.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.25 -37.33 75.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.705 ' HB3' HD11 ' A' ' 47' ' ' LEU . 1.7 mtt85 -63.08 -53.05 59.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' N ' HD11 ' A' ' 47' ' ' LEU . 5.4 m-20 -58.92 -40.06 83.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HG2' HD12 ' A' ' 3' ' ' ILE . 4.9 tttm -58.74 -52.35 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -61.92 -51.98 65.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -36.3 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -39.96 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.508 ' C ' HD23 ' A' ' 43' ' ' LEU . 23.2 mtp -66.44 -47.07 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.79 6.32 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.6 p-10 42.33 38.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.1 162.9 18.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.67 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 134.82 18.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -59.19 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -46.06 -45.6 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.67 HD12 ' HG2' ' A' ' 46' ' ' PRO . 46.5 mt -75.16 -25.26 58.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.55 137.93 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 1.8 t -138.92 156.47 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' A' ' 36' ' ' ARG . 8.0 mm -116.67 123.55 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -65.41 -59.42 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.42 127.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.7 mt -90.52 141.53 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.17 115.0 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.4 m -93.57 138.47 31.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -82.93 -175.28 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -106.01 110.12 22.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.37 41.68 72.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -125.17 1.87 7.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 111.046 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' MET . 17.4 mm100 37.13 55.15 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -153.24 125.56 8.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.5 m -123.42 131.14 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.554 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.4 ptpp? -119.27 141.84 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.79 136.94 4.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.1 m-85 -82.34 144.34 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -120.05 154.57 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -118.44 112.99 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.701 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.6 tp -101.27 124.01 46.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' N ' HD12 ' A' ' 70' ' ' LEU . 34.1 m-85 -109.66 162.86 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.29 -32.02 18.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.04 163.28 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.15 -36.72 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -51.41 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.883 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.77 -48.94 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.5 ttp -51.21 -35.57 37.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -70.32 -59.94 2.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -55.41 -28.98 57.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 76' ' ' ARG . 98.7 t -75.72 -54.92 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -6.81 35.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -82.9 -3.22 56.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -81.65 -32.82 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.23 26.35 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.774 HG13 ' N ' ' A' ' 86' ' ' LEU . 1.9 p -91.16 -150.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.774 ' N ' HG13 ' A' ' 85' ' ' VAL . 1.1 pp -55.39 99.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -109.41 154.45 22.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' C ' ' CG ' ' A' ' 89' ' ' ASN . 11.7 ttm180 -109.07 162.15 14.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' CG ' ' C ' ' A' ' 88' ' ' ARG . 2.5 m-80 -163.77 50.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -169.39 158.63 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 85.8 t -78.12 132.54 66.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.3 Cg_endo -75.0 -169.18 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.69 -122.72 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t 167.6 125.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.84 117.99 32.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.595 HG23 ' N ' ' A' ' 97' ' ' GLU . 12.9 t -111.18 -144.12 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.595 ' N ' HG23 ' A' ' 96' ' ' THR . 0.9 OUTLIER 172.78 99.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.99 58.14 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -105.24 102.58 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.9 OUTLIER 178.79 131.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.521 0.201 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.76 144.31 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 38' ' ' LYS . 8.5 mt -132.64 135.6 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.458 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.4 pttt -127.04 110.53 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.6 mt -62.26 109.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.2 mm -72.02 -73.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -144.89 155.6 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.96 112.85 17.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.8 tttp -103.94 146.5 28.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -112.37 148.99 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -146.32 96.62 4.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.1 18.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.08 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 36.8 mt -78.99 -17.01 56.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 74.82 28.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -118.46 -176.84 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -144.07 118.22 9.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -90.51 110.12 21.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -114.31 134.52 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' ILE . 10.4 m-20 -114.11 140.63 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -158.6 160.61 36.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' A' ' 65' ' ' LYS . 28.1 mm -113.67 133.16 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -103.0 126.49 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -126.67 147.25 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 6.4 p90 -161.14 167.35 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -126.85 40.85 3.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.12 -144.17 3.88 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.33 157.37 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -68.66 125.99 92.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.63 32.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -80.46 169.13 18.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.459 ' HG3' HD12 ' A' ' 55' ' ' ILE . 11.7 mtp180 -67.92 -33.71 75.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -66.76 -42.23 86.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -50.53 69.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.82 -34.94 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -53.08 49.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.73 -23.81 31.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.3 tttp -76.58 -50.81 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.542 HD12 HG21 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -64.02 -53.18 54.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.71 -36.38 16.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.05 -37.36 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.476 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.43 -47.23 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.19 3.18 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 45.3 39.17 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -107.31 163.39 17.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.658 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 126.91 10.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.52 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -52.72 -48.35 66.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.32 -47.04 18.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.658 HD12 ' HG2' ' A' ' 46' ' ' PRO . 38.3 mt -73.12 -25.11 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -82.6 137.85 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.1 t -138.75 158.92 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -119.15 125.91 74.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.32 -65.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -172.89 121.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.459 HD12 ' HG3' ' A' ' 32' ' ' ARG . 49.0 mt -86.88 140.85 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.87 115.23 20.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.815 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.2 m -86.3 130.97 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -98.44 167.17 10.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -120.89 106.06 11.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.45 -31.52 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.83 26.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 111.018 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 36.33 51.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -110.72 121.53 45.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.815 ' OG ' HG23 ' A' ' 57' ' ' THR . 16.2 m -111.0 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.68 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.6 ptpp? -118.27 143.29 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.11 139.75 6.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 9.1 m-85 -89.0 126.08 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -102.11 155.54 18.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -119.21 113.0 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.632 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.2 tp -98.89 122.91 42.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' N ' HD12 ' A' ' 70' ' ' LEU . 32.3 m-85 -109.61 156.47 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.16 -22.11 25.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.92 160.35 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.63 -29.37 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -46.76 84.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 80' ' ' VAL . 14.5 mmt-85 -62.49 -45.09 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 ttp -50.97 -37.15 42.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -69.92 -58.18 4.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.55 -31.36 64.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 76' ' ' ARG . 97.3 t -71.8 -49.03 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.59 -6.8 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -75.82 -1.98 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.22 -28.38 22.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 26.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.3 t -114.3 -136.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.555 HD23 ' H ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -59.72 84.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' VAL . 26.6 pttt -89.15 155.03 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.32 -175.54 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -148.45 46.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -170.36 124.57 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 91' ' ' VAL . 0.5 OUTLIER -55.16 121.15 34.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.92 -133.51 7.8 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t 171.11 124.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -156.21 154.18 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.574 HG23 ' N ' ' A' ' 97' ' ' GLU . 11.5 t -129.23 -143.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.574 ' N ' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER 174.21 172.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.69 126.75 3.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.4 -151.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 9.7 pt-20 -112.45 130.84 55.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.435 0.16 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.05 142.64 46.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 38' ' ' LYS . 37.5 mt -125.79 148.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 7.5 ptpt -134.61 114.3 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.83 108.59 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.4 mm -71.32 -69.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -147.96 156.08 42.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -125.34 111.46 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 tttp -102.62 144.16 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.1 tttt -111.93 149.1 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -153.26 96.25 2.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.5 20.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.97 -62.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 26.1 mt -76.99 -17.88 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 75.54 33.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 13.3 ptp180 -129.14 -174.31 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -145.58 121.72 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -91.76 106.68 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.56 134.42 53.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 7.2 m-20 -116.01 139.4 50.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -156.82 173.01 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 65' ' ' LYS . 6.4 mm -127.97 133.27 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 3.3 t -102.85 124.35 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -122.59 149.81 43.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.543 ' CE2' ' HA ' ' A' ' 62' ' ' GLN . 2.4 p90 -160.09 168.35 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.01 55.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.56 161.34 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t 62.37 161.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -117.18 118.87 35.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.87 25.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.4 m -86.31 172.76 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 55' ' ' ILE . 6.6 mtp180 -65.73 -42.51 90.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -66.25 -29.77 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -41.91 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.441 HG13 HD11 ' A' ' 3' ' ' ILE . 43.0 t -71.96 -46.43 59.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.669 ' HG3' HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -51.62 -52.91 43.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' N ' HD11 ' A' ' 47' ' ' LEU . 1.7 m-20 -52.96 -31.59 41.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.615 ' HB3' HD12 ' A' ' 3' ' ' ILE . 1.3 tttt -71.64 -52.04 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -62.66 -53.05 60.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.72 -35.8 14.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.09 61.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.467 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -68.73 -47.36 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.71 5.67 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 43.09 37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -108.08 165.9 11.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.664 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD11 ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.96 -50.73 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.27 -40.39 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.7 mt -78.89 -29.39 44.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.51 124.5 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.577 ' C ' HD13 ' A' ' 52' ' ' ILE . 1.6 t -127.49 152.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.669 HD11 ' HG3' ' A' ' 36' ' ' ARG . 6.7 mm -105.49 122.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.02 -55.96 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.75 120.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.563 HD12 ' HG3' ' A' ' 32' ' ' ARG . 19.6 mt -89.48 141.22 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -123.45 114.01 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.6 m -91.93 138.17 31.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -81.4 -173.6 4.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -103.69 103.23 13.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.2 40.92 68.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER -119.52 5.27 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.543 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 72.1 mm-40 38.13 58.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -156.3 128.98 7.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -129.21 126.89 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.734 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.7 ptpp? -117.82 146.71 43.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.3 142.52 7.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 5.6 m-85 -90.48 127.85 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -102.62 153.44 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -115.71 112.84 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.785 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.3 tp -99.36 124.17 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.2 m-85 -113.77 157.43 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -82.4 -28.0 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.27 154.11 39.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.61 54.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.92 -48.93 42.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.917 ' O ' HG23 ' A' ' 80' ' ' VAL . 2.3 mmt180 -60.16 -49.46 77.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.5 ttp -50.94 -38.77 52.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -63.11 -61.1 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.83 -36.67 70.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 76' ' ' ARG . 97.4 t -62.91 -48.76 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.74 -6.86 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.503 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -94.42 -3.23 50.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' HA ' HD21 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -73.07 -33.25 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.79 25.98 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.45 -0.8 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 82' ' ' GLN . 0.5 OUTLIER -125.02 80.27 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -131.3 147.71 52.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.07 171.62 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -163.84 45.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.53 130.47 10.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 t -88.13 118.78 69.98 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.97 -133.18 5.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.6 t 169.96 125.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -152.43 155.06 36.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.22 130.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 176.99 108.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -130.51 84.17 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -137.35 -151.76 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.8 OUTLIER 178.68 150.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.557 0.217 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.42 128.8 55.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.572 HG22 ' CE ' ' A' ' 42' ' ' MET . 11.6 mt -112.41 145.2 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -136.38 107.57 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.76 113.94 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.7 mm -76.35 -70.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.02 160.72 41.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' HB2' HD23 ' A' ' 19' ' ' LEU . 1.8 t0 -131.41 111.2 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 13.5 tttt -100.14 145.67 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.34 148.83 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -150.41 96.29 3.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 mt -63.66 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 16' ' ' ARG . 55.9 mt -78.36 -13.91 59.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 70.87 41.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 33.2 ptt180 -128.97 -170.4 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.2 ttp180 -153.1 113.42 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.98 107.23 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -110.46 134.67 52.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' ILE . 23.0 m-20 -115.28 140.26 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.716 ' CD2' HD11 ' A' ' 39' ' ' LEU . 19.9 p90 -156.4 168.29 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 65' ' ' LYS . 18.3 mm -124.21 131.47 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -103.21 124.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -121.7 148.29 44.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.463 ' CE1' ' CD ' ' A' ' 30' ' ' PRO . 21.0 p90 -167.18 167.63 14.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.29 67.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.67 -141.82 7.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -52.14 152.84 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -80.92 137.85 50.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' CD ' ' CE1' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -75.03 146.53 32.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -94.0 148.27 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HG2' HG21 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -46.89 -34.35 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -64.12 -49.82 70.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.91 -55.64 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 21' ' ' PHE . 89.9 t -54.97 -35.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.718 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.12 -53.92 45.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.48 -42.71 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.546 ' HB3' HD12 ' A' ' 3' ' ' ILE . 13.0 tttm -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.716 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -58.14 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.2 -37.34 22.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.28 -38.12 60.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.572 ' CE ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -67.32 -47.62 70.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.84 5.4 48.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 m120 42.74 37.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -106.54 166.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.7 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -74.96 120.62 6.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -46.86 -50.39 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.11 -54.57 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 46' ' ' PRO . 47.2 mt -64.68 -25.81 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.47 136.12 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.2 t -139.11 158.73 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 12.7 mm -118.31 126.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -176.03 123.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.425 HD13 ' HA3' ' A' ' 66' ' ' GLY . 1.6 mm -84.41 143.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.7 110.9 14.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.458 HG23 ' OG ' ' A' ' 64' ' ' SER . 26.8 m -89.22 138.92 31.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -96.56 -174.19 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.6 102.11 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.23 -6.93 10.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLN . 10.7 ptp -131.08 4.74 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' MET . 22.1 mm100 37.62 48.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.231 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.0 140.9 51.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.458 ' OG ' HG23 ' A' ' 57' ' ' THR . 25.2 m -134.09 130.94 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -115.45 151.68 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' HA3' HD13 ' A' ' 55' ' ' ILE . . . -162.44 126.21 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.65 120.79 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -102.69 154.78 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -120.52 112.68 19.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HB3' HD11 ' A' ' 19' ' ' LEU . 9.3 tp -96.87 124.75 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.516 ' N ' HD12 ' A' ' 70' ' ' LEU . 32.7 m-85 -110.95 158.39 18.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.23 -30.28 21.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.06 160.71 40.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.39 -40.63 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.05 -45.61 52.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.949 ' O ' HG23 ' A' ' 80' ' ' VAL . 2.4 mmt180 -61.58 -50.71 71.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 ttp -50.81 -35.45 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.91 -60.48 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -52.12 -38.25 56.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 76' ' ' ARG . 57.3 t -64.14 -51.98 61.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -7.18 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.447 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 14.7 tp60 -85.19 -1.36 56.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -89.97 -29.77 18.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -89.5 23.98 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.498 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.6 t -102.11 -135.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' H ' HG12 ' A' ' 85' ' ' VAL . 4.4 mt -41.01 104.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -135.54 154.03 51.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.43 176.24 8.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -148.99 49.26 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -165.61 123.72 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.607 HG22 ' HD2' ' A' ' 92' ' ' PRO . 1.6 p -53.09 140.73 41.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.607 ' HD2' HG22 ' A' ' 91' ' ' VAL . 18.3 Cg_endo -75.04 -175.37 2.33 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.98 -131.64 7.43 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t 170.55 123.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 0.802 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.2 OUTLIER -112.81 -168.77 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER 178.25 132.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.65 156.24 17.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.01 91.13 0.87 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.24 -150.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.258 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 17.7 tt0 -178.66 142.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.686 ' HE1' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.474 0.178 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.04 134.94 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.686 HD11 ' HE1' ' A' ' 1' ' ' MET . 10.3 mt -115.0 141.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 0.6 OUTLIER -131.63 105.67 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -58.3 116.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -80.0 -69.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -147.28 156.2 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 114.65 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -103.99 141.92 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -105.56 136.64 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -140.19 85.84 13.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.21 20.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 15.4 mt -75.69 -16.66 60.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 t-20 79.44 38.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 34.2 ptt180 -131.41 -170.2 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -150.87 121.84 7.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 16' ' ' ARG . 6.0 mm-40 -93.22 110.18 21.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -115.78 134.96 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.52 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 9.0 m-20 -115.59 138.67 50.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE2' ' CG1' ' A' ' 35' ' ' VAL . 53.9 p90 -156.02 164.41 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.705 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.0 mm -118.06 134.2 62.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.8 124.09 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -119.62 146.51 45.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.5 p90 -158.71 171.53 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.98 58.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.47 -141.77 7.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -46.81 139.89 5.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.653 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.8 m -71.22 143.77 88.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -74.99 156.82 43.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -95.85 167.83 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -66.7 -33.1 74.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 10.7 p30 -72.91 -36.64 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 48.1 m-20 -64.94 -44.74 88.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG22 ' HE2' ' A' ' 1' ' ' MET . 70.9 t -69.89 -37.64 73.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -49.49 74.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.8 m-20 -62.9 -42.33 99.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -59.87 -50.07 75.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.0 -53.66 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.76 -37.76 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.6 61.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.496 ' C ' HD23 ' A' ' 43' ' ' LEU . 77.1 mtp -68.16 -47.33 68.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.43 8.06 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 2.0 p-10 41.92 39.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -112.19 166.33 11.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.65 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.97 148.5 35.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -72.69 -49.52 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.33 -37.93 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.65 HD12 ' HG2' ' A' ' 46' ' ' PRO . 31.8 mt -81.92 -27.89 33.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.646 HD21 ' HB3' ' A' ' 39' ' ' LEU . 1.2 tp -82.47 134.32 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG21 ' SD ' ' A' ' 77' ' ' MET . 2.0 t -138.65 159.29 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.8 mm -118.98 126.33 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.2 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -176.78 124.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 53.6 mt -87.79 140.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 113.61 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m -90.98 137.41 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.85 -176.53 6.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -100.72 110.18 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.68 40.97 26.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -118.86 3.58 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' MET . 13.5 mm100 38.03 60.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -160.85 127.81 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -127.0 128.64 46.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.705 ' HB2' HD13 ' A' ' 22' ' ' ILE . 4.6 ptpp? -116.95 146.54 42.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.84 141.98 7.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.08 125.63 35.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -103.81 154.69 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -120.23 112.95 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.724 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.2 tp -100.54 123.19 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' N ' HD12 ' A' ' 70' ' ' LEU . 56.3 m-85 -110.95 165.66 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.2 -26.37 17.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.2 159.88 42.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.68 -40.44 20.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -49.55 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.939 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.79 -51.32 66.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.455 ' SD ' HG21 ' A' ' 51' ' ' VAL . 3.9 ttp -50.72 -40.08 53.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -65.64 -57.99 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.53 -28.99 64.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 76' ' ' ARG . 97.3 t -74.09 -53.34 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -6.77 35.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.45 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.0 mt-30 -78.26 -0.91 30.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.61 -30.69 17.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.22 26.47 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.4 t -106.45 -136.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.501 ' H ' HG12 ' A' ' 85' ' ' VAL . 4.0 mt -40.16 101.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.74 148.55 52.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.69 174.68 13.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -157.39 46.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -166.68 125.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.67 132.94 20.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -166.33 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.808 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.84 -125.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.2 t -147.71 -136.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.95 141.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.481 ' OG1' ' N ' ' A' ' 97' ' ' GLU . 10.2 t -122.61 -145.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' N ' ' OG1' ' A' ' 96' ' ' THR . 1.3 tm-20 -148.56 144.63 27.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.76 119.34 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -174.52 139.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 2.3 tp10 -177.87 119.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.515 0.198 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.65 148.83 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 38' ' ' LYS . 5.1 mt -134.01 140.64 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 13.6 ptpt -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.71 107.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -68.97 -74.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -139.19 161.36 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' CG ' ' NH1' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -125.64 112.09 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 tttm -112.84 143.25 44.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -114.91 148.72 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -143.3 96.6 5.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.65 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.2 -64.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.73 -13.59 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 73.3 41.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 31.6 ptt180 -133.39 -172.59 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' NH1' ' CG ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -141.61 127.54 19.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.15 110.2 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -118.44 135.97 54.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 5.7 m-20 -118.0 143.22 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -160.11 166.36 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.769 HD13 ' HB2' ' A' ' 65' ' ' LYS . 6.7 mm -118.0 131.62 70.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.74 124.38 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -119.16 152.96 35.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.16 167.05 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.52 72.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.87 -142.03 8.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -56.84 151.08 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.454 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.4 m -74.39 139.59 75.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.454 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.06 166.84 28.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -97.88 166.89 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.58 82.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -67.24 -26.47 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.8 -53.69 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.62 -40.19 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -53.46 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.7 m-20 -54.21 -27.45 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HB3' HD12 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -73.48 -52.47 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -60.86 -53.27 59.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.508 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.68 -36.12 15.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.56 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.482 ' C ' HD23 ' A' ' 43' ' ' LEU . 9.5 mtm -69.13 -47.37 65.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.45 5.29 50.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.9 p-10 42.16 37.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -105.46 162.8 18.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.627 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 127.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.508 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -53.13 -47.86 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 12.9 pt-20 -46.47 -44.29 17.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.627 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -76.44 -25.4 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD12 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -82.62 136.8 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.14 158.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 mm -119.86 125.2 74.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 177.08 127.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -88.4 136.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.58 113.41 24.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.799 HG23 ' OG ' ' A' ' 64' ' ' SER . 7.4 m -102.12 134.1 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.45 ' C ' ' CE ' ' A' ' 61' ' ' MET . 4.3 mt-10 -107.5 -171.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.57 105.81 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.43 -2.33 6.14 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -133.48 6.58 3.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 111.003 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.514 ' C ' ' O ' ' A' ' 61' ' ' MET . 25.8 mm100 29.45 67.76 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.6 tm-20 -162.96 146.66 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.799 ' OG ' HG23 ' A' ' 57' ' ' THR . 67.9 m -129.77 137.96 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.769 ' HB2' HD13 ' A' ' 22' ' ' ILE . 2.9 ptpp? -124.04 143.58 50.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.37 141.03 7.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -86.65 131.01 34.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -108.62 154.23 22.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -120.63 114.06 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.728 ' HB3' HD11 ' A' ' 19' ' ' LEU . 11.8 tp -100.74 124.4 46.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 58.2 m-85 -113.05 160.98 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' C ' HD13 ' A' ' 49' ' ' LEU . 72.1 mt-10 -91.21 -33.73 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -136.46 156.35 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.44 -40.01 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -49.17 54.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.92 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -57.31 -50.33 73.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.3 ttp -51.07 -38.6 52.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -63.93 -60.98 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -56.58 -33.05 65.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 76' ' ' ARG . 97.9 t -68.79 -51.8 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.79 -6.81 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.498 ' O ' HG12 ' A' ' 85' ' ' VAL . 10.5 mt-30 -93.9 -1.08 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.11 -38.31 57.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.17 27.3 9.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.766 HG13 ' N ' ' A' ' 86' ' ' LEU . 1.7 p -98.87 -150.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.766 ' N ' HG13 ' A' ' 85' ' ' VAL . 3.3 pp -43.37 103.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -123.51 157.26 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -130.79 171.29 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -162.82 48.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.18 128.89 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 t -84.48 117.31 68.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.72 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.01 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.96 -123.03 0.16 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 t 168.75 125.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -137.41 136.87 38.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -173.84 129.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.55 171.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.84 94.9 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -174.35 139.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -164.04 155.02 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.48 0.181 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.93 144.37 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.485 HD12 ' HB3' ' A' ' 38' ' ' LYS . 29.7 mt -132.21 136.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 8.9 ptpt -127.87 112.83 15.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.5 111.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.4 mm -71.98 -67.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -150.62 158.47 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.35 109.94 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttp -100.11 144.1 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -113.05 148.77 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -152.58 96.11 3.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -15.35 20.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.96 -59.01 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.98 -17.48 52.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.46 29.28 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 29.7 ptt180 -122.06 -170.96 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.13 120.05 7.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.452 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 67.1 mm-40 -91.73 104.08 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -109.41 134.08 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 27.6 m-20 -116.2 142.57 46.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 34.9 p90 -160.07 165.04 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 65' ' ' LYS . 16.0 mm -116.58 132.54 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.0 t -103.24 120.72 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -115.95 145.57 42.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.91 174.84 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.17 70.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.86 -147.97 18.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.76 133.1 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.719 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -64.85 145.72 98.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.97 145.14 31.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -88.6 153.92 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.948 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -56.02 -37.08 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -73.69 -25.18 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -48.82 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.54 -42.84 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.739 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -57.67 -51.98 67.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.463 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -56.51 -32.76 65.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HB3' HD12 ' A' ' 3' ' ' ILE . 10.0 tttm -71.1 -52.25 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.26 -53.77 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.64 -36.7 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.31 60.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.456 ' C ' HD23 ' A' ' 43' ' ' LEU . 52.5 mtp -67.82 -47.32 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.737 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.85 6.31 42.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.6 p-10 42.32 38.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -107.88 166.14 11.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.711 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 121.58 6.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.739 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -49.16 -48.86 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -45.35 -50.02 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 46' ' ' PRO . 38.9 mt -68.91 -25.93 64.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.66 137.16 34.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.28 161.37 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 68' ' ' ALA . 3.1 mm -121.0 128.03 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HB2' ' CE ' ' A' ' 69' ' ' LYS . 18.3 tt0 -71.54 -57.42 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.45 128.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 44.6 mt -92.12 141.13 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -123.55 110.85 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.691 HG23 ' OG ' ' A' ' 64' ' ' SER . 28.0 m -88.56 139.27 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 61' ' ' MET . 3.7 mm-40 -94.61 174.97 6.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -130.85 102.01 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.29 -9.47 10.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.441 ' CG ' ' HB2' ' A' ' 58' ' ' GLU . 24.8 ptp -126.96 2.7 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' MET . 25.2 mm100 37.43 55.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -136.43 147.39 47.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.691 ' OG ' HG23 ' A' ' 57' ' ' THR . 67.6 m -138.33 135.19 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -120.73 145.85 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -158.78 130.87 2.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.43 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -82.45 120.56 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -98.96 156.93 16.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 53' ' ' GLN . 2.1 mtmp? -121.5 114.11 20.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.761 ' HB3' HD11 ' A' ' 19' ' ' LEU . 13.4 tp -101.76 124.28 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' N ' HD12 ' A' ' 70' ' ' LEU . 60.2 m-85 -111.95 168.48 9.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -95.78 -35.68 11.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -136.77 158.46 44.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -44.77 20.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.05 -44.24 41.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.923 ' O ' HG23 ' A' ' 80' ' ' VAL . 2.3 mmt180 -62.16 -51.09 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ttp -51.42 -38.4 53.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -66.07 -59.49 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -55.51 -36.62 66.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 76' ' ' ARG . 93.8 t -65.6 -53.33 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -69.85 -6.91 35.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.8 mt-30 -94.81 -1.09 53.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.84 -40.94 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.82 25.86 2.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.4 t -120.04 -135.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.843 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.3 pp -59.98 84.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' VAL . 12.0 pttt -97.92 160.29 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.48 178.29 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -152.45 48.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.58 137.2 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -46.73 124.32 7.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.444 1.76 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.55 -129.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.8 p -141.29 -137.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -164.22 152.72 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -179.6 132.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.7 128.54 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.88 -164.17 31.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -128.84 -150.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.66 163.46 39.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.27 144.36 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 39' ' ' LEU . 20.2 mt -131.39 137.36 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.8 pttt -131.31 111.85 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -62.82 113.87 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.4 mm -75.64 -73.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -137.11 160.07 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -126.86 108.31 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' GLU . 8.5 tttt -112.18 141.03 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -112.66 148.77 33.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -138.49 95.4 10.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -16.25 20.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -64.99 -56.85 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 72.6 mt -85.17 -18.91 32.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 80.49 33.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -124.91 -174.91 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -140.75 125.46 18.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.3 mm-40 -94.58 107.17 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -116.42 134.43 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.482 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 12.4 m-20 -118.64 144.93 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.519 ' CD2' HG23 ' A' ' 3' ' ' ILE . 25.3 p90 -161.26 164.38 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.437 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 15.6 mm -114.21 133.37 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 t -102.63 117.62 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -114.29 155.0 27.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 15.1 p90 -168.14 -179.98 4.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.13 73.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.58 -141.13 9.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.3 159.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.631 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.8 m -85.03 143.34 39.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.6 Cg_endo -74.95 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.8 m -105.89 143.48 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -46.06 -37.69 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -65.2 -44.32 88.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -49.85 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.72 -39.62 85.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.751 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -59.2 -50.64 73.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.512 ' N ' HD11 ' A' ' 47' ' ' LEU . 4.0 m-20 -61.68 -32.4 72.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -66.85 -52.91 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.58 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -62.91 -53.17 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -48.71 -37.61 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.89 61.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.476 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.8 mmm -68.14 -47.17 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.56 5.3 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m120 44.6 38.84 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.538 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -112.14 165.59 12.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.616 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.04 139.24 23.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -62.86 -50.55 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.08 -49.03 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.616 HD12 ' HG2' ' A' ' 46' ' ' PRO . 27.6 mt -68.76 -27.18 65.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.65 HD12 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.62 138.77 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.4 t -139.14 159.13 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mm -121.0 125.17 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -68.17 -64.9 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -170.65 124.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.1 mt -91.25 139.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 118.26 25.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.64 HG23 ' OG ' ' A' ' 64' ' ' SER . 17.5 m -95.33 138.13 33.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 61' ' ' MET . 7.6 mm-40 -91.88 176.31 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 98.81 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.31 -16.36 6.01 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' GLN . 16.4 ptp -123.64 5.01 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.599 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 35.85 47.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -123.81 141.25 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.64 ' OG ' HG23 ' A' ' 57' ' ' THR . 70.9 m -126.65 134.49 50.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -120.81 141.25 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.16 137.98 5.21 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.482 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.4 m-85 -89.22 123.53 33.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -99.94 154.36 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -119.86 113.42 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.8 tp -100.19 125.62 46.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.441 ' N ' HD12 ' A' ' 70' ' ' LEU . 21.7 m-85 -108.69 158.14 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.46 -24.19 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -148.88 159.2 44.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -38.45 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -45.4 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.942 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.5 mmt180 -63.77 -47.28 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.5 ttp -51.2 -36.67 42.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -75.03 -54.99 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 82' ' ' GLN . 2.3 mt-30 -53.9 -30.18 44.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 76' ' ' ARG . 48.7 t -79.4 -35.35 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -6.63 44.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -89.52 -4.9 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -76.17 -31.24 58.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.403 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -112.09 27.0 10.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.787 HG13 ' N ' ' A' ' 86' ' ' LEU . 1.7 p -101.34 -151.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.787 ' N ' HG13 ' A' ' 85' ' ' VAL . 1.0 OUTLIER -50.81 94.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 85' ' ' VAL . 1.2 ptpt -105.54 156.21 18.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -114.45 165.57 12.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -163.24 50.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -173.16 130.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 p -54.64 128.29 61.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -163.78 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.89 -125.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.6 t -148.64 -137.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.045 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -103.86 -165.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER 177.47 131.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.85 155.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.01 154.96 20.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.33 -150.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.18 172.59 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.51 0.195 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 147.56 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 21' ' ' PHE . 81.2 mt -134.5 143.91 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.41 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 5.3 pttt -134.27 103.94 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.11 114.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.3 mm -76.59 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -146.73 155.9 42.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -125.12 110.05 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 9.8 tttt -100.07 144.73 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -110.31 148.73 31.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -148.36 96.85 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.63 20.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -67.07 -59.47 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.538 HD12 ' NE ' ' A' ' 16' ' ' ARG . 31.4 mt -84.1 -8.81 59.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.7 27.0 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' NE ' HD12 ' A' ' 14' ' ' LEU . 32.7 ptt180 -114.54 -169.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -151.89 119.01 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 39.8 mm-40 -90.66 105.89 18.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.33 133.95 53.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.562 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 25.3 m-20 -116.5 142.22 47.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.674 ' HD2' HG23 ' A' ' 3' ' ' ILE . 29.6 p90 -159.08 163.51 36.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.41 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 20.7 mm -113.95 134.09 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.487 HG22 ' CE2' ' A' ' 21' ' ' PHE . 3.0 t -102.85 128.89 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -126.19 150.47 48.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.8 p90 -162.83 176.06 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -134.12 60.9 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.55 -144.48 9.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.57 160.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.3 m -80.26 138.81 52.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 149.91 37.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -89.46 159.04 17.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 19.4 mtm105 -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -66.63 -24.33 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -46.94 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.8 t -65.69 -45.29 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.516 ' HG3' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -54.58 -48.85 71.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.0 m-20 -57.82 -36.76 72.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.6 tttp -67.7 -53.41 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.558 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.33 -53.46 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.545 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.84 -37.98 20.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.41 62.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.513 ' C ' HD23 ' A' ' 43' ' ' LEU . 40.5 mtp -67.51 -47.2 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.59 6.21 44.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.1 p30 42.39 39.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -108.31 164.83 13.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.636 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 130.12 12.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -53.98 -53.07 57.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.89 -54.64 4.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' HG2' ' A' ' 46' ' ' PRO . 22.8 mt -62.29 -29.32 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.14 137.03 35.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.577 ' C ' HD13 ' A' ' 52' ' ' ILE . 1.9 t -139.51 154.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.577 HD13 ' C ' ' A' ' 51' ' ' VAL . 9.4 mm -110.22 125.25 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -67.12 -57.94 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 177.53 121.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.3 mt -84.14 139.51 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -125.18 111.43 15.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.68 HG23 ' OG ' ' A' ' 64' ' ' SER . 11.6 m -90.39 137.24 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -85.67 -178.33 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -102.14 119.87 39.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.94 40.51 6.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 62' ' ' GLN . 1.5 mmm -122.62 1.41 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 61' ' ' MET . 8.8 mm100 36.47 56.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.63 132.21 5.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.68 ' OG ' HG23 ' A' ' 57' ' ' THR . 73.3 m -131.68 138.84 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -117.85 144.73 45.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.515 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.93 128.42 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -81.87 132.03 35.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.769 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -110.45 154.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -119.17 112.91 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.75 ' HB3' HD11 ' A' ' 19' ' ' LEU . 8.9 tp -99.25 124.67 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.528 ' N ' HD12 ' A' ' 70' ' ' LEU . 31.6 m-85 -111.09 160.08 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.89 -32.13 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.33 163.23 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.28 -38.02 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.62 -46.73 77.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.79 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.9 ttp -50.92 -37.41 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -64.05 -62.85 1.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -55.36 -33.04 63.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 76' ' ' ARG . 94.1 t -68.52 -52.13 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -6.99 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -86.56 -1.04 57.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -30.5 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.92 28.62 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 86' ' ' LEU . 1.5 p -96.43 -154.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.74 ' N ' HG13 ' A' ' 85' ' ' VAL . 1.9 pp -55.3 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.02 159.61 14.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 -175.41 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -99.72 49.86 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 66.08 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -76.31 133.21 71.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.4 -114.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.097 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.5 t 59.64 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.012 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.93 144.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -174.31 130.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -169.57 156.03 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.63 83.78 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 100' ' ' GLU . 3.4 pt-20 -84.15 -147.61 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.75 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 0.8 OUTLIER -102.04 169.7 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.97 134.43 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.512 HD12 ' HG2' ' A' ' 38' ' ' LYS . 5.4 mt -122.11 136.36 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 8.5 ptmt -130.6 113.88 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.0 mt -66.05 117.15 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -79.87 -70.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 155.0 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -125.73 111.98 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -102.99 145.61 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 3.8 tttt -112.01 148.99 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -151.61 96.09 3.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.45 19.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.97 -59.4 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 56.2 mt -82.5 -20.68 36.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.2 t-20 79.11 35.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 27.5 ptt180 -126.8 -172.37 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -148.05 116.84 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -88.3 105.94 17.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -111.38 134.36 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 35.7 m-20 -114.85 141.49 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.453 ' HE2' HG11 ' A' ' 35' ' ' VAL . 40.8 p90 -157.06 170.03 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 65' ' ' LYS . 26.6 mm -123.36 132.83 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 t -102.92 122.89 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -122.2 145.32 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 12.4 p90 -159.61 172.56 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -132.75 56.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -142.52 6.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.53 159.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -85.43 134.24 40.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.09 34.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.06 172.22 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -70.81 -29.29 65.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.07 -44.03 55.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -57.01 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG11 ' HE2' ' A' ' 21' ' ' PHE . 93.8 t -58.23 -35.05 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.767 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -62.52 -52.44 63.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.6 m-20 -59.03 -35.16 72.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HG2' HD12 ' A' ' 3' ' ' ILE . 3.6 tttm -64.54 -52.06 59.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -62.89 -53.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.41 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.61 61.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.464 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -69.48 -47.22 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.57 6.0 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 43.57 37.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.525 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.96 165.07 13.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.694 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 143.15 28.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -68.17 -49.27 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -46.19 -42.09 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' HG2' ' A' ' 46' ' ' PRO . 42.2 mt -77.0 -26.97 54.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.6 135.54 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.4 t -136.63 159.12 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 68' ' ' ALA . 4.8 mm -120.68 125.62 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -66.66 -59.52 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 179.86 124.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 mt -85.78 142.17 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -124.95 115.21 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.534 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.4 m -83.7 131.54 34.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.03 168.95 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.85 106.05 9.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.16 -29.18 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.132 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -149.68 27.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 111.039 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 36.13 56.28 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -117.39 124.23 48.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.534 ' OG ' HG23 ' A' ' 57' ' ' THR . 7.2 m -111.79 131.81 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.678 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.6 ptpp? -117.32 146.22 43.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.41 144.42 9.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.9 m-85 -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -100.83 159.39 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -124.46 112.93 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.801 ' HB3' HD11 ' A' ' 19' ' ' LEU . 11.5 tp -100.95 123.34 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.4 m-85 -110.22 165.25 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.37 -25.53 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -155.56 159.05 39.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.97 33.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.01 -44.54 41.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.922 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -66.04 -49.15 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 ttp -50.77 -39.32 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -63.55 -61.38 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.56 -29.67 62.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 76' ' ' ARG . 89.6 t -72.55 -49.95 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.79 -6.9 44.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -92.95 -1.06 57.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.28 -24.61 32.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -116.42 27.53 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.791 HG13 ' N ' ' A' ' 86' ' ' LEU . 2.0 p -92.96 -149.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.791 ' N ' HG13 ' A' ' 85' ' ' VAL . 1.5 pp -62.77 92.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -104.0 160.88 14.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' C ' ' CG ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -151.61 172.71 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' CG ' ' C ' ' A' ' 88' ' ' ARG . 2.6 m-80 -163.74 51.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.63 131.59 6.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.0 p -54.01 120.2 23.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.93 -129.07 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.4 t -158.52 -135.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 96' ' ' THR . 1.3 tp10 -171.05 146.23 2.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER 177.94 133.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.76 147.04 7.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 142.06 140.54 3.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -174.94 139.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.245 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 1.8 tt0 -175.69 129.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.528 0.204 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.25 131.32 53.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.662 HD11 HG13 ' A' ' 35' ' ' VAL . 28.5 mt -113.98 149.05 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.72 116.0 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.88 113.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.23 -67.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.03 160.65 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.48 109.49 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 ttpp -97.28 145.6 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 12.1 tttt -102.83 139.49 38.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -140.56 82.46 16.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -19.79 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.28 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.49 -10.97 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.23 34.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -126.47 -171.14 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.28 124.1 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.47 105.96 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.703 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -112.3 134.59 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -117.97 138.89 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -154.42 171.62 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.649 HD13 ' HB2' ' A' ' 65' ' ' LYS . 14.4 mm -123.71 133.92 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 t -104.12 119.56 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' CG ' ' HG2' ' A' ' 63' ' ' GLU . 7.5 mttm -113.7 155.36 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 19.3 p90 -173.43 168.31 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.89 86.84 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.44 158.97 31.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t 58.29 161.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 m -120.79 119.8 29.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.88 25.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 m -83.09 162.22 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.662 ' HG2' HD12 ' A' ' 55' ' ' ILE . 7.4 mtt85 -58.25 -48.69 79.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 13.7 p30 -56.08 -33.21 64.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -71.35 -51.74 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 3' ' ' ILE . 44.6 t -62.52 -41.69 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -51.14 65.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.6 m-20 -56.28 -33.01 65.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' HD12 ' A' ' 3' ' ' ILE . 3.2 tttt -66.69 -46.74 74.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.489 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -69.93 -53.58 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.63 -38.03 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.99 -37.96 61.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.474 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -67.58 -47.34 70.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.1 4.76 44.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 m120 44.84 38.94 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -111.25 165.1 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.665 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 138.48 23.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.548 1.815 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -63.94 -50.9 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -45.17 -42.95 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.665 HD12 ' HG2' ' A' ' 46' ' ' PRO . 23.4 mt -75.08 -28.82 60.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -82.22 138.5 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.5 t -138.97 159.6 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mm -120.28 127.56 75.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.1 -54.67 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.58 127.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.662 HD12 ' HG2' ' A' ' 32' ' ' ARG . 44.4 mt -93.56 143.37 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -124.67 110.85 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.506 ' CG2' ' OH ' ' A' ' 25' ' ' TYR . 25.4 m -96.66 138.74 33.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -108.55 164.53 12.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.41 103.53 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.22 -21.91 0.97 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' GLN . 1.4 ptt? -142.37 14.86 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.59 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 9.4 mp0 37.6 60.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' A' ' 57' ' ' THR . 34.3 mt-10 -118.42 154.37 32.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.476 ' HG ' ' HE1' ' A' ' 25' ' ' TYR . 2.9 m -146.87 121.55 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HB2' HD13 ' A' ' 22' ' ' ILE . 8.1 ptpp? -119.02 143.83 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.63 143.54 8.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.48 135.67 33.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -113.26 159.68 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.7 mtmt -124.47 113.06 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.703 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.5 tp -101.05 122.6 43.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 13.2 m-85 -110.96 166.16 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -135.89 161.76 34.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.58 -37.26 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.28 -46.18 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.867 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -55.66 -50.23 70.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.1 ttp -52.28 -36.23 52.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -66.89 -57.94 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -59.86 -35.4 74.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 76' ' ' ARG . 75.3 t -63.76 -47.83 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -6.86 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -3.98 58.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.79 -33.37 52.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.25 29.16 7.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.791 HG13 ' N ' ' A' ' 86' ' ' LEU . 2.1 p -85.07 -149.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.791 ' N ' HG13 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -62.69 94.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.47 163.06 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -105.95 168.6 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -148.91 47.96 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.99 124.18 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 92' ' ' PRO . 73.6 t -75.77 143.08 74.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.713 ' HD2' HG13 ' A' ' 91' ' ' VAL . 18.5 Cg_endo -75.07 -171.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.7 -79.58 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.5 t 72.25 115.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -177.38 146.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER 178.35 133.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.07 155.88 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.63 142.33 3.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -175.19 139.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -151.68 117.47 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.642 ' SD ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.497 0.189 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -116.4 110.62 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' A' ' 38' ' ' LYS . 26.9 mt -103.33 134.2 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.404 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmm? -128.63 109.01 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.81 116.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.28 -68.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 154.23 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.64 112.62 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -99.82 142.05 31.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 16.2 tttt -105.07 138.08 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -145.03 82.88 9.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.35 -63.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 12.5 mt -74.09 -19.47 60.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER 81.44 42.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 12.6 ptp180 -140.01 -168.96 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -95.82 107.46 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -114.74 136.14 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -118.72 139.25 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 22.6 p90 -151.82 172.66 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 65' ' ' LYS . 32.5 mm -123.01 131.41 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' SER . 4.8 t -102.76 124.69 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -128.09 157.4 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 4.9 p90 -169.83 160.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.64 60.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 166.0 14.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 16.3 t 57.99 160.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 117.52 31.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.48 26.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -82.49 169.24 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.895 ' HG3' HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -62.95 -37.15 85.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' A' ' 34' ' ' ASP . 2.2 p-10 -63.63 -48.98 75.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 67.4 m-20 -57.3 -46.39 83.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.642 HG22 ' SD ' ' A' ' 1' ' ' MET . 73.3 t -66.91 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.724 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -59.47 -52.88 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.519 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.4 m-20 -54.03 -35.18 61.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.599 ' HB3' HD12 ' A' ' 3' ' ' ILE . 4.2 tttp -67.77 -51.97 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.541 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -60.92 -53.52 56.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 45' ' ' ALA . . . -49.18 -37.07 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.75 61.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -67.37 -47.16 71.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.46 6.04 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.5 m120 44.68 39.26 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -113.43 164.81 14.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.638 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.461 1.769 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -66.68 -50.74 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.31 -44.86 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.2 mt -74.01 -27.23 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.41 138.33 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.0 t -139.26 156.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 mm -117.5 127.23 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -68.06 -66.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.54 123.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.895 HD12 ' HG3' ' A' ' 32' ' ' ARG . 23.8 mt -90.04 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -124.83 115.6 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.727 HG23 ' OG ' ' A' ' 64' ' ' SER . 5.2 m -95.41 136.04 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -109.61 169.45 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.2 105.69 10.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.8 -30.39 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' GLN . 11.7 ptt? -136.46 15.01 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.546 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 36.57 45.2 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -111.85 125.44 54.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.727 ' OG ' HG23 ' A' ' 57' ' ' THR . 18.9 m -113.26 131.04 56.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.607 ' HB2' HD13 ' A' ' 22' ' ' ILE . 3.7 ptpp? -118.51 141.41 48.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.23 143.35 8.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.6 145.52 26.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -122.79 154.49 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -119.43 114.03 21.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.1 tp -100.16 124.29 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 69.2 m-85 -115.57 158.7 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.06 -32.51 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -136.17 156.45 48.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -81.55 -31.66 32.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.59 -53.42 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.888 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -55.32 -45.35 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.2 ttp -50.95 -36.31 38.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -55.9 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -31.11 63.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 76' ' ' ARG . 98.0 t -72.18 -48.45 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -6.8 42.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -1.98 47.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -87.33 -31.84 19.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.53 28.09 9.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 86' ' ' LEU . 2.4 p -98.29 -162.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.744 ' H ' HG22 ' A' ' 85' ' ' VAL . 1.8 pp -40.3 97.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' VAL . 10.6 pttm -112.08 164.32 13.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -117.17 164.37 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -150.04 52.09 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -178.09 123.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -50.62 132.16 27.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.2 Cg_endo -75.06 130.77 13.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.57 -117.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.0 t 168.43 119.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.974 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.46 -167.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.0 p -130.76 -143.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -175.31 109.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.13 152.2 7.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.13 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -142.2 -151.18 0.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.656 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 2.3 tt0 -177.34 148.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.499 0.19 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.14 131.68 53.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.614 HG23 ' HD2' ' A' ' 21' ' ' PHE . 72.1 mt -117.42 145.46 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.436 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.2 pttt -133.3 112.56 11.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.3 110.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.456 HG22 ' HD2' ' A' ' 7' ' ' LYS . 3.4 mm -72.22 -69.15 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HD2' HG22 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -145.2 159.68 42.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -127.82 111.81 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.0 tttt -108.63 144.11 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 8.2 tttt -112.81 148.07 35.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -139.46 95.14 9.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.9 20.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.821 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.9 mt -68.29 -63.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.625 HD13 ' NH2' ' A' ' 16' ' ' ARG . 83.4 mt -78.01 -15.0 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 72.76 45.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.625 ' NH2' HD13 ' A' ' 14' ' ' LEU . 11.9 ptp180 -136.56 -172.36 3.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -145.67 119.72 9.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.6 115.34 27.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -120.55 134.43 55.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 2.1 m-20 -118.37 139.29 51.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.614 ' HD2' HG23 ' A' ' 3' ' ' ILE . 35.5 p90 -156.5 169.91 23.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.717 HD13 ' HB2' ' A' ' 65' ' ' LYS . 32.1 mm -120.77 134.25 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -102.81 121.47 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -117.88 151.68 36.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 6.9 p90 -163.21 171.8 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -130.96 57.88 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.72 -142.1 8.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.59 139.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -74.56 141.02 75.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 148.53 35.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 m -90.33 166.86 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.59 -43.06 95.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -66.76 -25.8 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.92 -46.42 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.97 -41.65 81.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -57.67 -53.95 52.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.8 m-20 -56.78 -38.77 72.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -63.45 -53.17 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD23 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -60.29 -53.9 52.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.45 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -36.4 60.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' LEU . 80.6 mtp -68.27 -46.04 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.62 HD11 HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -92.88 7.69 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 2.1 p-10 41.82 37.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -106.86 164.57 14.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.678 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.5 Cg_endo -75.03 143.46 29.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.58 -50.11 54.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.5 pm0 -45.3 -37.19 4.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 ' HG2' ' A' ' 46' ' ' PRO . 32.9 mt -83.52 -29.18 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.42 125.2 30.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG21 ' HE2' ' A' ' 71' ' ' TYR . 3.4 t -129.74 161.62 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.416 HD13 ' HB2' ' A' ' 68' ' ' ALA . 13.0 mm -118.9 130.01 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -72.22 -62.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.46 124.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 32.5 mt -90.78 144.11 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -125.05 115.48 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.924 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.8 m -93.35 132.71 37.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.68 -176.39 3.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -106.17 107.74 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.55 40.28 77.64 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -123.33 2.87 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' MET . 7.7 mm100 37.71 57.72 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.33 124.9 4.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.924 ' OG ' HG23 ' A' ' 57' ' ' THR . 50.9 m -127.01 132.77 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.717 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.4 ptpp? -117.52 144.84 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.02 140.07 6.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.505 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.53 132.56 34.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 111.015 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -112.52 154.14 26.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.87 112.85 19.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.74 ' HB3' HD11 ' A' ' 19' ' ' LEU . 15.7 tp -99.36 123.39 43.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.9 m-85 -106.82 163.75 12.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.21 -36.61 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -131.76 163.91 27.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -42.22 17.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -51.05 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 1.037 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.76 -53.01 60.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.524 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.7 tmm? -49.05 -51.99 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -55.22 -52.71 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -62.31 -31.36 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 76' ' ' ARG . 84.0 t -68.66 -48.23 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.05 -6.78 47.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -4.73 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -31.1 21.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.68 28.37 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.707 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.9 p -97.83 -160.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.3 pp -43.65 98.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -110.75 163.77 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -129.65 171.9 12.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -149.3 49.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.04 120.67 3.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 2.7 p -43.96 136.59 3.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.2 Cg_endo -75.02 -166.52 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.45 -123.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.2 t -147.73 -137.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -159.07 158.69 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 t -178.84 131.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.456 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.41 67.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 53.9 -173.1 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -174.11 139.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -162.0 129.44 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.504 0.193 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.02 124.24 46.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 39' ' ' LEU . 5.2 mt -108.2 144.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.28 112.55 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 mt -65.72 113.82 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.0 mm -76.49 -70.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -148.52 153.61 38.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' OD2' ' NH2' ' A' ' 17' ' ' ARG . 2.5 t0 -123.66 114.14 19.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 tttt -103.61 145.91 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -109.59 148.55 31.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' ND2' HD12 ' A' ' 14' ' ' LEU . 40.8 t-20 -151.69 95.84 3.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.77 20.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.6 mt -65.51 -63.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.765 ' O ' HG21 ' A' ' 80' ' ' VAL . 23.5 mt -78.63 -5.85 54.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.9 32.58 15.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.8 ptt180 -124.68 -174.58 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -146.09 119.92 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -114.62 133.65 55.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.549 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 8.1 m-20 -112.98 138.25 50.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -153.15 172.36 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 11.8 mm -129.95 128.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 18.9 t -102.42 114.95 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 63' ' ' GLU . 5.7 mttm -113.47 147.4 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 6.1 p90 -158.64 160.46 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -102.92 68.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.8 165.18 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 t 57.76 160.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -120.2 119.59 30.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.38 28.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.6 m -83.76 174.82 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.845 ' HG3' HD12 ' A' ' 55' ' ' ILE . 8.7 mpt_? -68.55 -41.2 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -61.16 -40.56 94.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -50.42 64.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -62.24 -38.47 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.688 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.39 -50.28 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.6 m-20 -54.5 -41.57 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.5 tttp -61.27 -53.17 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -60.6 -53.92 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -49.45 -37.63 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.64 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.525 ' C ' HD23 ' A' ' 43' ' ' LEU . 61.9 mtp -68.07 -47.42 68.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.04 5.37 46.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 m120 43.89 37.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.37 163.36 17.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 129.82 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -53.25 -52.13 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.64 -53.21 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HG2' ' A' ' 46' ' ' PRO . 21.0 mt -64.44 -28.14 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.36 138.38 34.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.0 t -139.38 156.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mm -117.19 122.16 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -65.46 -53.33 44.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 175.49 127.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.845 HD12 ' HG3' ' A' ' 32' ' ' ARG . 15.3 mt -90.11 144.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' LYS . 1.8 mtmt -125.09 113.44 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.797 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.5 m -85.68 131.2 34.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -83.98 -171.72 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -113.85 132.25 55.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.35 42.64 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.6 mmm -121.32 -6.89 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 45.1 49.45 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -165.07 171.96 13.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.797 ' OG ' HG23 ' A' ' 57' ' ' THR . 58.6 m -153.07 146.47 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -119.53 163.58 17.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.66 139.91 4.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.35 130.22 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -109.05 154.45 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -120.5 112.72 19.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.763 ' HB3' HD11 ' A' ' 19' ' ' LEU . 7.1 tp -98.48 126.02 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' N ' HD12 ' A' ' 70' ' ' LEU . 46.9 m-85 -112.77 154.61 25.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -76.88 -34.67 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.87 164.77 29.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -81.77 -35.18 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.62 -51.97 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.958 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.07 -47.4 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.431 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 25.3 ttp -50.53 -38.94 47.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' GLU . 9.5 mtpt -75.28 -59.22 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HA ' ' CG ' ' A' ' 82' ' ' GLN . 33.5 mt-30 -45.71 -28.93 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 76' ' ' ARG . 33.2 t -85.27 -38.37 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' LYS . 5.1 mt-10 -77.23 -6.53 53.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -117.93 -0.43 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.42 -29.69 66.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.57 25.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.2 t -116.12 -137.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.482 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -60.43 83.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.792 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -88.04 -167.6 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -55.04 172.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ARG . 3.6 m120 40.02 39.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.792 ' HB2' ' O ' ' A' ' 87' ' ' LYS . . . -83.73 134.65 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.6 p -55.36 115.82 10.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 158.24 42.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 94' ' ' SER . . . -70.6 -126.79 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 93' ' ' GLY . 3.4 t 162.76 126.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.66 160.6 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -178.08 131.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -175.13 96.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.58 84.92 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -148.03 -149.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 0.727 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 7.4 tp10 56.85 109.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.529 0.204 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.06 130.91 56.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.503 HD12 ' HB3' ' A' ' 38' ' ' LYS . 6.8 mt -114.59 143.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -134.39 109.61 8.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 mt -60.57 112.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' ASP . 10.4 mm -74.96 -74.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.66 160.55 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -127.9 111.61 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.3 tttp -111.13 143.28 42.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.8 tttt -113.73 147.35 38.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -141.59 93.77 7.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.42 20.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -63.39 -60.02 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 82.3 mt -82.39 -20.11 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.3 t-20 82.03 33.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 23.7 ptt180 -124.47 -173.98 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.71 124.57 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -95.71 110.41 22.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -118.34 134.76 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.513 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 7.3 m-20 -117.2 140.23 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -154.84 161.09 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.66 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.2 mm -113.7 134.41 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 10.8 t -102.55 125.68 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -126.46 144.21 50.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 6.9 p90 -161.99 175.31 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.1 85.18 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -141.31 12.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -51.51 159.43 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.783 . . . . 0.0 110.013 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.736 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -84.45 145.84 46.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.736 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 161.37 38.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 m -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -45.83 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -61.28 -39.89 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -46.67 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.85 -37.4 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -64.46 -53.26 51.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.8 m-20 -56.41 -37.64 70.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -62.5 -51.65 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.579 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.81 -53.08 60.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.78 -36.75 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.42 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.481 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -68.32 -47.21 68.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.23 5.82 43.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 43.43 38.1 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.93 166.64 10.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.618 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 150.7 38.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -74.07 -49.21 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -46.84 -39.24 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.8 mt -79.86 -27.54 40.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 39' ' ' LEU . 2.5 tp -82.74 135.79 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -138.71 161.47 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.424 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 8.3 mm -120.33 125.95 74.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -69.84 -58.5 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.87 126.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -92.01 142.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.02 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 m -95.3 138.74 32.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -110.56 167.06 10.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.14 103.61 9.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.01 -37.12 0.46 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER -139.74 23.98 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 111.02 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.502 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER 36.45 53.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -113.14 127.21 56.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m -116.14 131.01 57.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.66 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.5 ptpp? -120.69 140.08 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 138.88 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -84.42 138.29 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.61 154.45 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -119.97 114.71 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.689 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.9 tp -100.01 123.69 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 77' ' ' MET . 23.7 m-85 -109.15 151.14 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -88.62 -31.04 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.72 135.14 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.11 -39.88 93.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -49.68 -50.97 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 1.064 ' O ' HG23 ' A' ' 80' ' ' VAL . 2.1 mmt180 -56.36 -53.47 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.513 ' HG3' ' CE2' ' A' ' 71' ' ' TYR . 3.2 tmm? -48.95 -53.56 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -55.56 -51.89 65.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.69 -40.93 89.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.064 HG23 ' O ' ' A' ' 76' ' ' ARG . 63.2 t -56.62 -51.27 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.29 -6.97 55.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -0.74 28.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -94.03 -29.86 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.73 27.47 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 86' ' ' LEU . 4.2 t -108.24 -129.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.508 ' H ' HG12 ' A' ' 85' ' ' VAL . 4.3 mt -38.43 100.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' VAL . 8.7 pttt -133.08 148.31 52.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.61 -164.2 1.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 7.3 m-80 -107.11 53.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . 67.41 125.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 3.4 t -98.35 134.94 21.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.2 Cg_endo -75.06 -164.87 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.797 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.76 -130.44 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 t 168.19 125.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.36 134.84 2.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.97 12.64 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.29 171.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.18 152.17 5.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.89 -152.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.58 95.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.431 ' HE2' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.85 139.5 50.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.691 HG23 ' HD2' ' A' ' 21' ' ' PHE . 67.3 mt -127.05 143.79 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 7.8 ptpt -131.89 115.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.79 105.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -67.54 -69.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 160.68 42.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.24 108.31 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 3.9 tttm -95.26 148.14 22.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.49 146.92 37.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -149.24 92.4 4.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.95 -64.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 14.9 mt -76.71 -21.53 55.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 79.75 32.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' CZ ' ' CD1' ' A' ' 14' ' ' LEU . 34.6 ptt180 -122.99 -170.52 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -150.4 120.48 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.82 101.92 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.778 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -108.08 134.21 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.14 142.53 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.691 ' HD2' HG23 ' A' ' 3' ' ' ILE . 22.1 p90 -158.98 169.86 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.56 HD13 ' HB2' ' A' ' 65' ' ' LYS . 19.7 mm -120.53 133.5 67.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -103.01 128.01 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -125.57 148.34 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -161.68 173.44 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -129.95 71.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.3 -148.87 20.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.55 134.6 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.756 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -63.55 146.59 96.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.756 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -75.06 161.34 38.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -97.06 141.89 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.94 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HG3' HD12 ' A' ' 55' ' ' ILE . 7.6 mtp180 -47.23 -35.12 7.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -68.55 -40.14 80.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -44.06 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.03 -41.23 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -52.66 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -58.53 -36.35 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HG2' HD12 ' A' ' 3' ' ' ILE . 3.4 tttp -64.64 -53.02 54.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.513 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -60.27 -53.54 56.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.75 -37.08 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.17 -37.61 61.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 32.1 mtp -66.54 -47.29 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.788 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.24 5.82 47.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 44.2 38.63 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.82 166.7 10.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.657 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 146.8 33.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.54 -49.59 39.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.22 -39.43 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.657 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -79.4 -28.24 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.65 129.54 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.073 . . . . 0.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.1 t -133.11 157.4 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 68' ' ' ALA . 3.1 mm -118.66 125.24 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -66.9 -56.86 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.48 130.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.572 HD12 ' HG3' ' A' ' 32' ' ' ARG . 26.1 mt -91.45 142.23 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -125.04 117.47 24.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.708 HG23 ' OG ' ' A' ' 64' ' ' SER . 14.9 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.708 ' OG ' HG23 ' A' ' 57' ' ' THR . 72.5 m -134.11 136.53 43.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -115.09 154.6 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -168.51 128.82 1.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -111.24 155.62 22.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -121.04 112.92 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' A' ' 19' ' ' LEU . 8.7 tp -99.3 125.3 44.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.539 ' N ' HD12 ' A' ' 70' ' ' LEU . 49.2 m-85 -113.12 157.46 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.04 -23.82 24.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -153.68 153.72 32.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.62 -36.96 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -48.97 -36.5 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.437 ' HG3' ' CB ' ' A' ' 15' ' ' ASN . 2.4 mmt180 -74.73 -47.49 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.3 ttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.514 0.197 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.42 130.36 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 38' ' ' LYS . 44.3 mt -116.02 138.93 44.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 4.2 ptpt -129.72 110.86 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.14 112.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.32 -69.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -147.41 157.43 43.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.18 114.28 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -104.5 139.31 39.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 134.25 47.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -142.4 85.84 10.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -15.34 20.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt -61.17 -56.96 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.79 2.26 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 m120 58.77 44.96 16.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 34.2 ptt180 -139.35 -169.04 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.57 124.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -94.86 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -116.36 134.3 55.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 27.2 m-20 -114.65 141.16 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -156.86 167.75 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 134.14 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.2 t -102.87 124.29 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -124.71 149.43 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -171.51 171.82 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.61 90.89 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.18 -144.4 16.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.23 139.3 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.474 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.7 m -77.29 139.34 64.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.03 157.26 42.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.88 161.4 13.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -58.86 -31.7 68.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -67.12 -52.24 44.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -55.79 -50.34 70.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.81 -38.11 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.621 ' HB3' HD21 ' A' ' 47' ' ' LEU . 7.1 mtt180 -60.68 -53.17 60.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -59.46 -36.53 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HB3' HD12 ' A' ' 3' ' ' ILE . 6.4 tttp -61.26 -51.08 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -64.57 -53.46 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.98 -36.46 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.99 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.498 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.03 -47.18 72.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.82 3.58 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 45.41 39.97 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.98 166.06 11.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.621 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.05 131.91 14.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -56.08 -51.34 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.28 -51.04 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.621 HD12 ' HG2' ' A' ' 46' ' ' PRO . 25.7 mt -66.92 -27.19 67.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.695 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.52 137.1 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.2 t -139.34 158.24 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -118.68 127.46 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -68.37 -69.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -166.97 123.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.2 mt -87.99 141.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -125.0 111.44 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.65 HG23 ' OG ' ' A' ' 64' ' ' SER . 14.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.65 ' OG ' HG23 ' A' ' 57' ' ' THR . 24.4 m -127.19 130.71 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -115.68 147.4 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.01 136.83 4.28 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -85.47 142.08 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -119.94 153.99 35.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -119.21 112.88 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.695 HD13 HD12 ' A' ' 50' ' ' LEU . 14.1 tp -99.53 123.13 43.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 68.9 m-85 -112.81 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.44 -36.15 10.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 76' ' ' ARG . 19.1 m-20 -131.02 156.52 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 -38.62 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.03 -47.7 77.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -54.99 -50.86 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.1 ttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 111.01 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.27 134.4 54.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 38' ' ' LYS . 44.1 mt -122.52 133.53 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.29 108.46 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.93 117.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.8 mm -81.54 -71.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -145.28 152.13 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -123.78 113.25 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttm -100.87 148.75 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.97 144.21 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -147.77 89.87 5.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.37 20.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.45 -64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 11.3 mt -74.7 -21.68 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.9 t-20 80.84 40.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 14' ' ' LEU . 32.8 ptt180 -133.63 -166.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -154.47 118.61 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.54 105.64 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.33 135.11 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 15.3 m-20 -114.82 138.22 51.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.475 ' CD1' HD11 ' A' ' 39' ' ' LEU . 54.6 p90 -153.09 164.17 38.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 65' ' ' LYS . 9.9 mm -116.53 133.76 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.22 123.02 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -123.42 146.43 48.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' HH ' HG23 ' A' ' 57' ' ' THR . 8.2 p90 -163.47 169.74 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -124.83 75.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.33 -142.06 9.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -50.28 159.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.691 HG23 ' HD2' ' A' ' 30' ' ' PRO . 3.0 m -86.96 144.93 37.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 150.65 38.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 m -86.7 156.42 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -58.34 -32.14 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -74.86 -27.81 60.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.8 -53.65 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG11 ' CE2' ' A' ' 21' ' ' PHE . 69.8 t -59.94 -40.14 82.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -50.0 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.5 m-20 -62.66 -35.33 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.548 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.1 tttp -65.54 -51.43 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.34 -53.63 49.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.89 -37.84 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.83 62.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.507 ' C ' HD23 ' A' ' 43' ' ' LEU . 74.0 mtp -67.77 -47.25 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.51 7.57 35.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER 42.16 38.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.87 166.42 10.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.667 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 146.06 32.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.4 -48.33 50.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.47 -37.24 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.667 HD12 ' HG2' ' A' ' 46' ' ' PRO . 35.2 mt -83.22 -27.37 30.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.64 135.17 35.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 3.8 t -137.83 161.97 32.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.3 mm -119.63 128.47 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -71.63 -62.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -174.99 121.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.2 mt -87.35 139.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -124.59 114.77 19.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.609 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.4 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.609 ' OG ' HG23 ' A' ' 57' ' ' THR . 4.8 m -112.48 130.3 56.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.8 ptpp? -117.79 139.85 50.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.49 138.64 5.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.435 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.8 m-85 -86.49 125.08 33.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -101.04 156.76 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -122.29 113.05 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.7 tp -99.73 123.89 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' N ' HD12 ' A' ' 70' ' ' LEU . 46.5 m-85 -112.95 161.74 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.74 -36.25 14.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -138.0 145.34 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.43 -41.4 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -36.58 26.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -70.21 -50.79 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.0 ttp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.522 0.201 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.39 133.16 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.55 HD12 ' HB3' ' A' ' 38' ' ' LYS . 46.3 mt -121.79 139.77 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -129.76 106.48 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.75 113.44 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ASP . 7.9 mm -76.23 -73.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.56 153.86 42.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.442 ' HB2' HD23 ' A' ' 19' ' ' LEU . 1.4 t0 -123.85 113.81 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.5 tttp -100.78 146.83 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 7.7 tttt -113.65 148.69 35.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -153.82 93.84 2.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.32 20.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.16 -63.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 85.9 mt -79.3 -17.91 53.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 5.2 t-20 76.06 43.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -131.55 -168.36 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -156.4 115.59 3.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -89.63 110.6 21.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -114.27 134.53 54.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 3.9 m-20 -114.39 141.12 48.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CD2' HG23 ' A' ' 3' ' ' ILE . 40.4 p90 -158.43 163.79 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' A' ' 65' ' ' LYS . 48.7 mm -115.65 134.28 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 t -102.83 125.18 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -124.95 145.07 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -160.63 177.06 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.78 81.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.85 -147.22 18.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.54 144.1 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.743 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.9 m -67.98 146.31 98.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.04 167.13 27.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 m -101.96 149.62 24.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.27 -46.13 72.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -62.22 -32.44 73.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.28 -42.94 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.03 -41.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -61.92 -46.68 88.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.1 m-20 -61.76 -29.67 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.55 ' HB3' HD12 ' A' ' 3' ' ' ILE . 5.4 tttp -70.65 -52.69 19.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.579 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.17 -53.49 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.79 -36.41 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.52 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.463 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -67.35 -47.28 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.779 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.69 5.58 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 44.64 38.44 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.28 166.01 11.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.651 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 145.85 32.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -70.53 -50.3 39.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -38.71 6.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.651 HD12 ' HG2' ' A' ' 46' ' ' PRO . 28.7 mt -80.9 -29.73 35.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.44 124.37 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 2.6 t -127.84 159.72 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 68' ' ' ALA . 2.6 mm -119.06 129.14 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -71.41 -65.91 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.73 127.68 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.8 mt -92.15 143.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 114.52 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.49 HG23 ' OG ' ' A' ' 64' ' ' SER . 3.1 m . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.49 ' OG ' HG23 ' A' ' 57' ' ' THR . 8.3 m -119.19 134.62 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.618 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.0 ptpp? -120.08 143.16 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.97 139.69 6.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.9 136.13 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -113.65 157.0 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -121.37 113.04 19.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.651 ' HB3' HD11 ' A' ' 19' ' ' LEU . 9.3 tp -99.71 125.65 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.528 ' N ' HD12 ' A' ' 70' ' ' LEU . 38.2 m-85 -113.52 156.1 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.33 -22.15 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.62 157.07 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.8 -37.39 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.18 -48.37 73.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -50.74 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.8 ttp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.468 0.175 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.98 142.43 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 38' ' ' LYS . 51.4 mt -127.28 145.45 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmt -135.72 111.33 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.21 112.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.31 -70.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -148.42 154.8 40.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -124.34 111.18 15.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -102.22 148.1 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -114.83 148.75 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -147.91 95.94 4.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.69 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 50.4 mt -79.31 -23.5 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 81.84 40.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 36.0 ptt180 -128.1 -171.0 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.58 115.32 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 16' ' ' ARG . 33.2 mm-40 -88.18 103.36 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -108.09 133.91 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 8.6 m-20 -115.54 140.54 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 52.9 p90 -157.26 165.58 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.6 mm -119.86 133.92 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -102.92 125.9 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -122.1 146.4 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.8 p90 -160.56 179.35 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.64 68.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.08 -149.77 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.41 131.25 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 1.2 t -55.33 147.42 37.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.0 173.79 13.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.5 m -105.93 150.8 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.514 ' HG3' HD12 ' A' ' 55' ' ' ILE . 3.9 mtp180 -51.54 -38.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.19 -49.59 71.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.24 -49.34 76.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.7 -35.28 74.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.37 -53.09 48.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -57.87 -29.35 64.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.542 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.9 tttp -69.78 -52.64 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.758 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -60.8 -53.56 55.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.95 -36.79 18.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.19 -37.75 61.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -68.27 -47.27 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.79 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.23 6.88 40.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.2 p30 42.23 38.23 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.27 165.89 11.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.636 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -65.81 -50.16 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -44.57 -40.26 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' HG2' ' A' ' 46' ' ' PRO . 30.6 mt -80.66 -30.51 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.758 HD21 ' HB3' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -82.74 113.72 20.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 52' ' ' ILE . 9.7 t -119.23 165.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG12 ' NE ' ' A' ' 36' ' ' ARG . 2.9 mm -120.32 132.29 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.85 -52.91 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.8 125.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.514 HD12 ' HG3' ' A' ' 32' ' ' ARG . 16.6 mt -91.26 142.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 114.09 18.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.452 HG23 ' OG ' ' A' ' 64' ' ' SER . 23.9 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.452 ' OG ' HG23 ' A' ' 57' ' ' THR . 24.3 m -131.5 130.81 42.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.626 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -117.26 151.93 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -170.9 128.1 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -80.65 134.55 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.6 154.43 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -118.41 112.89 20.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.743 ' HB3' HD11 ' A' ' 19' ' ' LEU . 15.5 tp -100.08 123.47 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.3 m-85 -105.06 152.18 23.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.5 -30.87 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -143.41 158.96 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -79.14 -40.93 29.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -50.9 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -53.18 58.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.514 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.8 tmm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.43 138.09 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.556 HG21 HD12 ' A' ' 39' ' ' LEU . 5.6 mt -124.08 130.72 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 1.9 ptmt -124.21 113.33 18.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -64.39 117.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' CG1' HG12 ' A' ' 22' ' ' ILE . 3.5 mm -79.67 -68.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -148.34 153.15 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.405 ' HB2' HD23 ' A' ' 19' ' ' LEU . 2.8 t0 -123.72 113.9 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.3 tttp -100.12 147.15 25.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.96 144.12 32.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -153.06 82.33 4.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.81 18.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.2 mt -60.35 -57.81 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD12 ' HD3' ' A' ' 16' ' ' ARG . 11.2 mt -84.6 2.01 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.445 ' ND2' ' NH1' ' A' ' 76' ' ' ARG . 30.8 m120 57.72 46.61 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HD3' HD12 ' A' ' 14' ' ' LEU . 1.1 ptm180 -140.75 -169.9 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -154.23 125.27 7.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.51 107.63 20.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -113.67 136.78 52.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.541 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 10.1 m-20 -116.34 137.15 52.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 46.5 p90 -151.0 165.73 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.554 HD13 ' HB2' ' A' ' 65' ' ' LYS . 30.2 mm -118.46 133.9 63.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.0 123.25 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -121.94 148.07 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.06 172.68 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.76 63.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.71 -140.83 7.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -48.73 160.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.706 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -86.78 145.11 38.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.5 Cg_endo -74.97 158.64 42.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.82 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.4 m -98.71 150.25 22.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -49.19 -42.31 39.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -63.73 -43.25 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.5 -46.39 90.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.25 -37.33 75.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.705 ' HB3' HD11 ' A' ' 47' ' ' LEU . 1.7 mtt85 -63.08 -53.05 59.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' N ' HD11 ' A' ' 47' ' ' LEU . 5.4 m-20 -58.92 -40.06 83.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HG2' HD12 ' A' ' 3' ' ' ILE . 4.9 tttm -58.74 -52.35 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -61.92 -51.98 65.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -36.3 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -39.96 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.508 ' C ' HD23 ' A' ' 43' ' ' LEU . 23.2 mtp -66.44 -47.07 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.79 6.32 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.2 p30 42.33 38.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.1 162.9 18.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.67 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 134.82 18.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -59.19 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -46.06 -45.6 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.67 HD12 ' HG2' ' A' ' 46' ' ' PRO . 46.5 mt -75.16 -25.26 58.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.55 137.93 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 1.8 t -138.92 156.47 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' A' ' 36' ' ' ARG . 8.0 mm -116.67 123.55 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -65.41 -59.42 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.42 127.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.7 mt -90.52 141.53 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.17 115.0 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.5 m -123.42 131.14 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.554 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.4 ptpp? -119.27 141.84 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.79 136.94 4.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.1 m-85 -82.34 144.34 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -120.05 154.57 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -118.44 112.99 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.701 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.6 tp -101.27 124.01 46.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' N ' HD12 ' A' ' 70' ' ' LEU . 34.1 m-85 -109.66 162.86 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.29 -32.02 18.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.04 163.28 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.15 -36.72 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -51.41 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' NH1' ' ND2' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -54.77 -48.94 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.5 ttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.426 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.521 0.201 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.76 144.31 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 38' ' ' LYS . 8.5 mt -132.64 135.6 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.458 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.4 pttt -127.04 110.53 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.6 mt -62.26 109.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.2 mm -72.02 -73.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -144.89 155.6 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.96 112.85 17.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.8 tttp -103.94 146.5 28.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -112.37 148.99 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -146.32 96.62 4.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.1 18.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.08 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 36.8 mt -78.99 -17.01 56.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 74.82 28.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -118.46 -176.84 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -144.07 118.22 9.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -90.51 110.12 21.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -114.31 134.52 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' ILE . 10.4 m-20 -114.11 140.63 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -158.6 160.61 36.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' A' ' 65' ' ' LYS . 28.1 mm -113.67 133.16 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -103.0 126.49 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -126.67 147.25 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 6.4 p90 -161.14 167.35 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -126.85 40.85 3.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.12 -144.17 3.88 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.33 157.37 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -68.66 125.99 92.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.63 32.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -80.46 169.13 18.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.459 ' HG3' HD12 ' A' ' 55' ' ' ILE . 11.7 mtp180 -67.92 -33.71 75.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -66.76 -42.23 86.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -50.53 69.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.82 -34.94 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -53.08 49.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.73 -23.81 31.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.3 tttp -76.58 -50.81 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.542 HD12 HG21 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -64.02 -53.18 54.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.71 -36.38 16.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.05 -37.36 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.476 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.43 -47.23 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.19 3.18 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 45.3 39.17 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -107.31 163.39 17.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.658 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 126.91 10.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.52 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -52.72 -48.35 66.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.32 -47.04 18.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.658 HD12 ' HG2' ' A' ' 46' ' ' PRO . 38.3 mt -73.12 -25.11 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -82.6 137.85 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.1 t -138.75 158.92 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -119.15 125.91 74.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.32 -65.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -172.89 121.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.459 HD12 ' HG3' ' A' ' 32' ' ' ARG . 49.0 mt -86.88 140.85 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.87 115.23 20.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.815 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.488 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.815 ' OG ' HG23 ' A' ' 57' ' ' THR . 16.2 m -111.0 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.68 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.6 ptpp? -118.27 143.29 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.11 139.75 6.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 9.1 m-85 -89.0 126.08 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -102.11 155.54 18.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -119.21 113.0 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.632 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.2 tp -98.89 122.91 42.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' N ' HD12 ' A' ' 70' ' ' LEU . 32.3 m-85 -109.61 156.47 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.16 -22.11 25.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.92 160.35 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.63 -29.37 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -46.76 84.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mmt-85 -62.49 -45.09 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 ttp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.434 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.435 0.16 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.05 142.64 46.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 38' ' ' LYS . 37.5 mt -125.79 148.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 7.5 ptpt -134.61 114.3 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.83 108.59 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.4 mm -71.32 -69.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -147.96 156.08 42.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -125.34 111.46 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 tttp -102.62 144.16 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.1 tttt -111.93 149.1 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -153.26 96.25 2.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.5 20.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.97 -62.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 26.1 mt -76.99 -17.88 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 75.54 33.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 13.3 ptp180 -129.14 -174.31 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -145.58 121.72 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -91.76 106.68 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.56 134.42 53.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 7.2 m-20 -116.01 139.4 50.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -156.82 173.01 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 65' ' ' LYS . 6.4 mm -127.97 133.27 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 3.3 t -102.85 124.35 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -122.59 149.81 43.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.4 p90 -160.09 168.35 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.01 55.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.56 161.34 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t 62.37 161.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -117.18 118.87 35.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.87 25.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.4 m -86.31 172.76 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 55' ' ' ILE . 6.6 mtp180 -65.73 -42.51 90.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -66.25 -29.77 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -41.91 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.441 HG13 HD11 ' A' ' 3' ' ' ILE . 43.0 t -71.96 -46.43 59.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.669 ' HG3' HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -51.62 -52.91 43.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' N ' HD11 ' A' ' 47' ' ' LEU . 1.7 m-20 -52.96 -31.59 41.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.615 ' HB3' HD12 ' A' ' 3' ' ' ILE . 1.3 tttt -71.64 -52.04 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -62.66 -53.05 60.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.72 -35.8 14.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.09 61.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.467 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -68.73 -47.36 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.71 5.67 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 43.09 37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -108.08 165.9 11.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.664 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.473 HD11 ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.96 -50.73 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.27 -40.39 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.7 mt -78.89 -29.39 44.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.51 124.5 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.577 ' C ' HD13 ' A' ' 52' ' ' ILE . 1.6 t -127.49 152.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.669 HD11 ' HG3' ' A' ' 36' ' ' ARG . 6.7 mm -105.49 122.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.02 -55.96 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.75 120.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.563 HD12 ' HG3' ' A' ' 32' ' ' ARG . 19.6 mt -89.48 141.22 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -123.45 114.01 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -129.21 126.89 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.734 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.7 ptpp? -117.82 146.71 43.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.3 142.52 7.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 5.6 m-85 -90.48 127.85 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -102.62 153.44 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -115.71 112.84 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.785 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.3 tp -99.36 124.17 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.2 m-85 -113.77 157.43 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -82.4 -28.0 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.27 154.11 39.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.61 54.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.92 -48.93 42.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -60.16 -49.46 77.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.557 0.217 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.42 128.8 55.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.572 HG22 ' CE ' ' A' ' 42' ' ' MET . 11.6 mt -112.41 145.2 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -136.38 107.57 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.76 113.94 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.7 mm -76.35 -70.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.02 160.72 41.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.507 ' HB2' HD23 ' A' ' 19' ' ' LEU . 1.8 t0 -131.41 111.2 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 13.5 tttt -100.14 145.67 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.34 148.83 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -150.41 96.29 3.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 mt -63.66 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 16' ' ' ARG . 55.9 mt -78.36 -13.91 59.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 70.87 41.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 33.2 ptt180 -128.97 -170.4 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.2 ttp180 -153.1 113.42 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.98 107.23 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -110.46 134.67 52.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' ILE . 23.0 m-20 -115.28 140.26 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.716 ' CD2' HD11 ' A' ' 39' ' ' LEU . 19.9 p90 -156.4 168.29 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 65' ' ' LYS . 18.3 mm -124.21 131.47 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -103.21 124.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -121.7 148.29 44.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.463 ' CE1' ' CD ' ' A' ' 30' ' ' PRO . 21.0 p90 -167.18 167.63 14.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.29 67.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.67 -141.82 7.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -52.14 152.84 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -80.92 137.85 50.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.463 ' CD ' ' CE1' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -75.03 146.53 32.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -94.0 148.27 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HG2' HG21 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -46.89 -34.35 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -64.12 -49.82 70.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.91 -55.64 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 21' ' ' PHE . 89.9 t -54.97 -35.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.718 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.12 -53.92 45.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.48 -42.71 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.546 ' HB3' HD12 ' A' ' 3' ' ' ILE . 13.0 tttm -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.716 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -58.14 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.2 -37.34 22.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.28 -38.12 60.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.572 ' CE ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -67.32 -47.62 70.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.84 5.4 48.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 42.74 37.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -106.54 166.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.7 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -74.96 120.62 6.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -46.86 -50.39 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.11 -54.57 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 46' ' ' PRO . 47.2 mt -64.68 -25.81 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.47 136.12 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.2 t -139.11 158.73 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 12.7 mm -118.31 126.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -176.03 123.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.425 HD13 ' HA3' ' A' ' 66' ' ' GLY . 1.6 mm -84.41 143.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.7 110.9 14.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.458 HG23 ' OG ' ' A' ' 64' ' ' SER . 26.8 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.458 ' OG ' HG23 ' A' ' 57' ' ' THR . 25.2 m -134.09 130.94 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -115.45 151.68 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' HA3' HD13 ' A' ' 55' ' ' ILE . . . -162.44 126.21 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.65 120.79 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -102.69 154.78 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -120.52 112.68 19.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HB3' HD11 ' A' ' 19' ' ' LEU . 9.3 tp -96.87 124.75 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.516 ' N ' HD12 ' A' ' 70' ' ' LEU . 32.7 m-85 -110.95 158.39 18.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.23 -30.28 21.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.06 160.71 40.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.39 -40.63 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.05 -45.61 52.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -61.58 -50.71 71.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 ttp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.686 ' HE1' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.474 0.178 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.04 134.94 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.686 HD11 ' HE1' ' A' ' 1' ' ' MET . 10.3 mt -115.0 141.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.431 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 0.6 OUTLIER -131.63 105.67 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -58.3 116.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -80.0 -69.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -147.28 156.2 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 114.65 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -103.99 141.92 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -105.56 136.64 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -140.19 85.84 13.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.21 20.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 15.4 mt -75.69 -16.66 60.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 t-20 79.44 38.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 34.2 ptt180 -131.41 -170.2 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -150.87 121.84 7.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 16' ' ' ARG . 6.0 mm-40 -93.22 110.18 21.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -115.78 134.96 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.52 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 9.0 m-20 -115.59 138.67 50.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE2' ' CG1' ' A' ' 35' ' ' VAL . 53.9 p90 -156.02 164.41 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.705 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.0 mm -118.06 134.2 62.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.8 124.09 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -119.62 146.51 45.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.5 p90 -158.71 171.53 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.98 58.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.47 -141.77 7.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -46.81 139.89 5.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.653 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.8 m -71.22 143.77 88.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -74.99 156.82 43.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -95.85 167.83 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -66.7 -33.1 74.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 10.7 p30 -72.91 -36.64 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 48.1 m-20 -64.94 -44.74 88.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG22 ' HE2' ' A' ' 1' ' ' MET . 70.9 t -69.89 -37.64 73.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -49.49 74.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.8 m-20 -62.9 -42.33 99.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -59.87 -50.07 75.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.0 -53.66 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.76 -37.76 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.6 61.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.496 ' C ' HD23 ' A' ' 43' ' ' LEU . 77.1 mtp -68.16 -47.33 68.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.43 8.06 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.6 p30 41.92 39.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -112.19 166.33 11.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.65 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.97 148.5 35.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -72.69 -49.52 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.33 -37.93 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.65 HD12 ' HG2' ' A' ' 46' ' ' PRO . 31.8 mt -81.92 -27.89 33.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.646 HD21 ' HB3' ' A' ' 39' ' ' LEU . 1.2 tp -82.47 134.32 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG21 ' SD ' ' A' ' 77' ' ' MET . 2.0 t -138.65 159.29 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.8 mm -118.98 126.33 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.2 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -176.78 124.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 53.6 mt -87.79 140.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 113.61 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -127.0 128.64 46.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.705 ' HB2' HD13 ' A' ' 22' ' ' ILE . 4.6 ptpp? -116.95 146.54 42.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.84 141.98 7.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.08 125.63 35.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -103.81 154.69 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -120.23 112.95 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.724 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.2 tp -100.54 123.19 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' N ' HD12 ' A' ' 70' ' ' LEU . 56.3 m-85 -110.95 165.66 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.2 -26.37 17.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.2 159.88 42.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.68 -40.44 20.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -49.55 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -51.32 66.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.455 ' SD ' HG21 ' A' ' 51' ' ' VAL . 3.9 ttp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.515 0.198 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.65 148.83 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 38' ' ' LYS . 5.1 mt -134.01 140.64 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 13.6 ptpt -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.71 107.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -68.97 -74.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -139.19 161.36 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.416 ' CG ' ' NH1' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -125.64 112.09 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 tttm -112.84 143.25 44.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -114.91 148.72 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -143.3 96.6 5.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.65 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.2 -64.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.73 -13.59 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 73.3 41.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 31.6 ptt180 -133.39 -172.59 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.416 ' NH1' ' CG ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -141.61 127.54 19.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.15 110.2 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -118.44 135.97 54.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 5.7 m-20 -118.0 143.22 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -160.11 166.36 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.769 HD13 ' HB2' ' A' ' 65' ' ' LYS . 6.7 mm -118.0 131.62 70.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.74 124.38 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -119.16 152.96 35.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.16 167.05 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.52 72.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.87 -142.03 8.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -56.84 151.08 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.454 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.4 m -74.39 139.59 75.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.454 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.06 166.84 28.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -97.88 166.89 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.58 82.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -67.24 -26.47 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.8 -53.69 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.62 -40.19 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -53.46 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.7 m-20 -54.21 -27.45 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HB3' HD12 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -73.48 -52.47 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -60.86 -53.27 59.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.508 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.68 -36.12 15.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.56 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.482 ' C ' HD23 ' A' ' 43' ' ' LEU . 9.5 mtm -69.13 -47.37 65.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.45 5.29 50.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER 42.16 37.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -105.46 162.8 18.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.627 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 127.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.508 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -53.13 -47.86 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 12.9 pt-20 -46.47 -44.29 17.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.627 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -76.44 -25.4 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD12 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -82.62 136.8 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.14 158.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 mm -119.86 125.2 74.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 177.08 127.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -88.4 136.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.58 113.41 24.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.799 HG23 ' OG ' ' A' ' 64' ' ' SER . 7.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.6 tm-20 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.799 ' OG ' HG23 ' A' ' 57' ' ' THR . 67.9 m -129.77 137.96 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.769 ' HB2' HD13 ' A' ' 22' ' ' ILE . 2.9 ptpp? -124.04 143.58 50.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.37 141.03 7.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -86.65 131.01 34.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -108.62 154.23 22.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -120.63 114.06 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.728 ' HB3' HD11 ' A' ' 19' ' ' LEU . 11.8 tp -100.74 124.4 46.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 58.2 m-85 -113.05 160.98 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' C ' HD13 ' A' ' 49' ' ' LEU . 72.1 mt-10 -91.21 -33.73 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -136.46 156.35 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.44 -40.01 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -49.17 54.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.31 -50.33 73.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.3 ttp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.48 0.181 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.93 144.37 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.485 HD12 ' HB3' ' A' ' 38' ' ' LYS . 29.7 mt -132.21 136.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 8.9 ptpt -127.87 112.83 15.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.5 111.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.4 mm -71.98 -67.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -150.62 158.47 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.35 109.94 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttp -100.11 144.1 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -113.05 148.77 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -152.58 96.11 3.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -15.35 20.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.96 -59.01 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.98 -17.48 52.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.46 29.28 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 29.7 ptt180 -122.06 -170.96 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.13 120.05 7.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.452 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 67.1 mm-40 -91.73 104.08 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -109.41 134.08 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 27.6 m-20 -116.2 142.57 46.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 34.9 p90 -160.07 165.04 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 65' ' ' LYS . 16.0 mm -116.58 132.54 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.0 t -103.24 120.72 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -115.95 145.57 42.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.91 174.84 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.17 70.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.86 -147.97 18.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.76 133.1 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.719 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -64.85 145.72 98.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.97 145.14 31.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -88.6 153.92 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.948 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -56.02 -37.08 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -73.69 -25.18 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -48.82 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.54 -42.84 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.739 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -57.67 -51.98 67.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.463 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -56.51 -32.76 65.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HB3' HD12 ' A' ' 3' ' ' ILE . 10.0 tttm -71.1 -52.25 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.26 -53.77 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.64 -36.7 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.31 60.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.456 ' C ' HD23 ' A' ' 43' ' ' LEU . 52.5 mtp -67.82 -47.32 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.737 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.85 6.31 42.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER 42.32 38.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -107.88 166.14 11.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.711 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 121.58 6.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.739 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -49.16 -48.86 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -45.35 -50.02 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 46' ' ' PRO . 38.9 mt -68.91 -25.93 64.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.66 137.16 34.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.28 161.37 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 68' ' ' ALA . 3.1 mm -121.0 128.03 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HB2' ' CE ' ' A' ' 69' ' ' LYS . 18.3 tt0 -71.54 -57.42 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.45 128.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 44.6 mt -92.12 141.13 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -123.55 110.85 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.691 HG23 ' OG ' ' A' ' 64' ' ' SER . 28.0 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.691 ' OG ' HG23 ' A' ' 57' ' ' THR . 67.6 m -138.33 135.19 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -120.73 145.85 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -158.78 130.87 2.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.43 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -82.45 120.56 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -98.96 156.93 16.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 53' ' ' GLN . 2.1 mtmp? -121.5 114.11 20.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.761 ' HB3' HD11 ' A' ' 19' ' ' LEU . 13.4 tp -101.76 124.28 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' N ' HD12 ' A' ' 70' ' ' LEU . 60.2 m-85 -111.95 168.48 9.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -95.78 -35.68 11.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -136.77 158.46 44.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -44.77 20.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.05 -44.24 41.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -62.16 -51.09 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ttp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.27 144.36 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 39' ' ' LEU . 20.2 mt -131.39 137.36 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.8 pttt -131.31 111.85 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -62.82 113.87 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.4 mm -75.64 -73.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -137.11 160.07 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -126.86 108.31 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' GLU . 8.5 tttt -112.18 141.03 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -112.66 148.77 33.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -138.49 95.4 10.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -16.25 20.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -64.99 -56.85 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 72.6 mt -85.17 -18.91 32.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 80.49 33.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -124.91 -174.91 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -140.75 125.46 18.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.3 mm-40 -94.58 107.17 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -116.42 134.43 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.482 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 12.4 m-20 -118.64 144.93 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.519 ' CD2' HG23 ' A' ' 3' ' ' ILE . 25.3 p90 -161.26 164.38 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.437 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 15.6 mm -114.21 133.37 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 t -102.63 117.62 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -114.29 155.0 27.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -168.14 -179.98 4.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.13 73.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.58 -141.13 9.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.3 159.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.631 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.8 m -85.03 143.34 39.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.6 Cg_endo -74.95 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.8 m -105.89 143.48 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -46.06 -37.69 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -65.2 -44.32 88.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -49.85 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.72 -39.62 85.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.751 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -59.2 -50.64 73.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.512 ' N ' HD11 ' A' ' 47' ' ' LEU . 4.0 m-20 -61.68 -32.4 72.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -66.85 -52.91 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.58 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -62.91 -53.17 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -48.71 -37.61 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.89 61.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.476 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.8 mmm -68.14 -47.17 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.56 5.3 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 44.6 38.84 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.538 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -112.14 165.59 12.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.616 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.04 139.24 23.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -62.86 -50.55 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.08 -49.03 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.616 HD12 ' HG2' ' A' ' 46' ' ' PRO . 27.6 mt -68.76 -27.18 65.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.65 HD12 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.62 138.77 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.4 t -139.14 159.13 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mm -121.0 125.17 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -68.17 -64.9 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -170.65 124.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.1 mt -91.25 139.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 118.26 25.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.64 HG23 ' OG ' ' A' ' 64' ' ' SER . 17.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.64 ' OG ' HG23 ' A' ' 57' ' ' THR . 70.9 m -126.65 134.49 50.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -120.81 141.25 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.16 137.98 5.21 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.482 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.4 m-85 -89.22 123.53 33.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -99.94 154.36 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -119.86 113.42 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.8 tp -100.19 125.62 46.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.441 ' N ' HD12 ' A' ' 70' ' ' LEU . 21.7 m-85 -108.69 158.14 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.46 -24.19 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -148.88 159.2 44.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -38.45 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -45.4 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -63.77 -47.28 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.5 ttp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.51 0.195 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 147.56 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 21' ' ' PHE . 81.2 mt -134.5 143.91 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.41 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 5.3 pttt -134.27 103.94 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.11 114.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.3 mm -76.59 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -146.73 155.9 42.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -125.12 110.05 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 9.8 tttt -100.07 144.73 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -110.31 148.73 31.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -148.36 96.85 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.63 20.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -67.07 -59.47 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.538 HD12 ' NE ' ' A' ' 16' ' ' ARG . 31.4 mt -84.1 -8.81 59.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.7 27.0 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' NE ' HD12 ' A' ' 14' ' ' LEU . 32.7 ptt180 -114.54 -169.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -151.89 119.01 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 39.8 mm-40 -90.66 105.89 18.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.33 133.95 53.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.562 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 25.3 m-20 -116.5 142.22 47.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.674 ' HD2' HG23 ' A' ' 3' ' ' ILE . 29.6 p90 -159.08 163.51 36.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.41 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 20.7 mm -113.95 134.09 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.487 HG22 ' CE2' ' A' ' 21' ' ' PHE . 3.0 t -102.85 128.89 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -126.19 150.47 48.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.8 p90 -162.83 176.06 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -134.12 60.9 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.55 -144.48 9.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.57 160.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.3 m -80.26 138.81 52.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 149.91 37.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -89.46 159.04 17.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 19.4 mtm105 -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -66.63 -24.33 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -46.94 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.8 t -65.69 -45.29 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.516 ' HG3' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -54.58 -48.85 71.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.0 m-20 -57.82 -36.76 72.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.6 tttp -67.7 -53.41 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.558 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.33 -53.46 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.545 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.84 -37.98 20.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.41 62.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.513 ' C ' HD23 ' A' ' 43' ' ' LEU . 40.5 mtp -67.51 -47.2 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.59 6.21 44.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.1 p30 42.39 39.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -108.31 164.83 13.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.636 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 130.12 12.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -53.98 -53.07 57.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.89 -54.64 4.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' HG2' ' A' ' 46' ' ' PRO . 22.8 mt -62.29 -29.32 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.14 137.03 35.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.577 ' C ' HD13 ' A' ' 52' ' ' ILE . 1.9 t -139.51 154.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.577 HD13 ' C ' ' A' ' 51' ' ' VAL . 9.4 mm -110.22 125.25 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -67.12 -57.94 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 177.53 121.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.3 mt -84.14 139.51 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -125.18 111.43 15.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.68 HG23 ' OG ' ' A' ' 64' ' ' SER . 11.6 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.68 ' OG ' HG23 ' A' ' 57' ' ' THR . 73.3 m -131.68 138.84 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -117.85 144.73 45.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.515 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.93 128.42 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -81.87 132.03 35.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.769 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -110.45 154.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -119.17 112.91 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.75 ' HB3' HD11 ' A' ' 19' ' ' LEU . 8.9 tp -99.25 124.67 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.528 ' N ' HD12 ' A' ' 70' ' ' LEU . 31.6 m-85 -111.09 160.08 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.89 -32.13 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.33 163.23 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.28 -38.02 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.62 -46.73 77.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.79 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.9 ttp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.962 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.97 134.43 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.512 HD12 ' HG2' ' A' ' 38' ' ' LYS . 5.4 mt -122.11 136.36 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 8.5 ptmt -130.6 113.88 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.0 mt -66.05 117.15 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -79.87 -70.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 155.0 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -125.73 111.98 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -102.99 145.61 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 3.8 tttt -112.01 148.99 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -151.61 96.09 3.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.45 19.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.97 -59.4 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 56.2 mt -82.5 -20.68 36.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.2 t-20 79.11 35.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 27.5 ptt180 -126.8 -172.37 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -148.05 116.84 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -88.3 105.94 17.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -111.38 134.36 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 35.7 m-20 -114.85 141.49 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.453 ' HE2' HG11 ' A' ' 35' ' ' VAL . 40.8 p90 -157.06 170.03 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 65' ' ' LYS . 26.6 mm -123.36 132.83 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 t -102.92 122.89 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -122.2 145.32 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -159.61 172.56 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -132.75 56.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -142.52 6.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.53 159.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -85.43 134.24 40.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.09 34.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.06 172.22 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -70.81 -29.29 65.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.07 -44.03 55.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -57.01 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.453 HG11 ' HE2' ' A' ' 21' ' ' PHE . 93.8 t -58.23 -35.05 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.767 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -62.52 -52.44 63.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.6 m-20 -59.03 -35.16 72.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HG2' HD12 ' A' ' 3' ' ' ILE . 3.6 tttm -64.54 -52.06 59.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -62.89 -53.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.41 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.61 61.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.464 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -69.48 -47.22 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.57 6.0 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 43.57 37.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.525 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.96 165.07 13.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.694 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 143.15 28.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -68.17 -49.27 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -46.19 -42.09 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' HG2' ' A' ' 46' ' ' PRO . 42.2 mt -77.0 -26.97 54.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.6 135.54 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.4 t -136.63 159.12 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 68' ' ' ALA . 4.8 mm -120.68 125.62 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -66.66 -59.52 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 179.86 124.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 mt -85.78 142.17 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -124.95 115.21 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.534 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.534 ' OG ' HG23 ' A' ' 57' ' ' THR . 7.2 m -111.79 131.81 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.678 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.6 ptpp? -117.32 146.22 43.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.41 144.42 9.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.9 m-85 -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -100.83 159.39 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -124.46 112.93 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.801 ' HB3' HD11 ' A' ' 19' ' ' LEU . 11.5 tp -100.95 123.34 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.4 m-85 -110.22 165.25 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.37 -25.53 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -155.56 159.05 39.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.97 33.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.01 -44.54 41.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.04 -49.15 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 ttp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.528 0.204 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.25 131.32 53.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.662 HD11 HG13 ' A' ' 35' ' ' VAL . 28.5 mt -113.98 149.05 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.72 116.0 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.88 113.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.23 -67.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.03 160.65 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.48 109.49 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 ttpp -97.28 145.6 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 12.1 tttt -102.83 139.49 38.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -140.56 82.46 16.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -19.79 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.28 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.49 -10.97 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.23 34.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -126.47 -171.14 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.28 124.1 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.47 105.96 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.703 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -112.3 134.59 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -117.97 138.89 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -154.42 171.62 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.649 HD13 ' HB2' ' A' ' 65' ' ' LYS . 14.4 mm -123.71 133.92 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 t -104.12 119.56 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' CG ' ' HG2' ' A' ' 63' ' ' GLU . 7.5 mttm -113.7 155.36 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.506 ' OH ' ' CG2' ' A' ' 57' ' ' THR . 19.3 p90 -173.43 168.31 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.89 86.84 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.44 158.97 31.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t 58.29 161.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 m -120.79 119.8 29.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.88 25.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 m -83.09 162.22 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.662 ' HG2' HD12 ' A' ' 55' ' ' ILE . 7.4 mtt85 -58.25 -48.69 79.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 13.7 p30 -56.08 -33.21 64.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -71.35 -51.74 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 3' ' ' ILE . 44.6 t -62.52 -41.69 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -51.14 65.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.6 m-20 -56.28 -33.01 65.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' HD12 ' A' ' 3' ' ' ILE . 3.2 tttt -66.69 -46.74 74.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.489 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -69.93 -53.58 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.63 -38.03 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.99 -37.96 61.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.474 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -67.58 -47.34 70.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.1 4.76 44.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 44.84 38.94 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -111.25 165.1 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.665 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 138.48 23.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.548 1.815 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -63.94 -50.9 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -45.17 -42.95 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.665 HD12 ' HG2' ' A' ' 46' ' ' PRO . 23.4 mt -75.08 -28.82 60.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -82.22 138.5 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.5 t -138.97 159.6 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mm -120.28 127.56 75.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.1 -54.67 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.58 127.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.662 HD12 ' HG2' ' A' ' 32' ' ' ARG . 44.4 mt -93.56 143.37 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -124.67 110.85 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.506 ' CG2' ' OH ' ' A' ' 25' ' ' TYR . 25.4 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' A' ' 57' ' ' THR . 34.3 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.476 ' HG ' ' HE1' ' A' ' 25' ' ' TYR . 2.9 m -146.87 121.55 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HB2' HD13 ' A' ' 22' ' ' ILE . 8.1 ptpp? -119.02 143.83 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.63 143.54 8.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.48 135.67 33.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -113.26 159.68 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.7 mtmt -124.47 113.06 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.703 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.5 tp -101.05 122.6 43.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 13.2 m-85 -110.96 166.16 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -135.89 161.76 34.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.58 -37.26 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.28 -46.18 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -50.23 70.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.642 ' SD ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.497 0.189 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -116.4 110.62 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' A' ' 38' ' ' LYS . 26.9 mt -103.33 134.2 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.404 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmm? -128.63 109.01 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.81 116.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.28 -68.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 154.23 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.64 112.62 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -99.82 142.05 31.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 16.2 tttt -105.07 138.08 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -145.03 82.88 9.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.35 -63.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 12.5 mt -74.09 -19.47 60.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER 81.44 42.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 12.6 ptp180 -140.01 -168.96 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -95.82 107.46 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -114.74 136.14 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -118.72 139.25 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 22.6 p90 -151.82 172.66 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 65' ' ' LYS . 32.5 mm -123.01 131.41 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' SER . 4.8 t -102.76 124.69 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -128.09 157.4 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 28' ' ' SER . 4.9 p90 -169.83 160.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.64 60.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 166.0 14.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 16.3 t 57.99 160.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 117.52 31.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.48 26.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -82.49 169.24 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.895 ' HG3' HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -62.95 -37.15 85.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' A' ' 34' ' ' ASP . 2.2 p-10 -63.63 -48.98 75.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 67.4 m-20 -57.3 -46.39 83.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.642 HG22 ' SD ' ' A' ' 1' ' ' MET . 73.3 t -66.91 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.724 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -59.47 -52.88 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.519 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.4 m-20 -54.03 -35.18 61.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.599 ' HB3' HD12 ' A' ' 3' ' ' ILE . 4.2 tttp -67.77 -51.97 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.541 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -60.92 -53.52 56.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 45' ' ' ALA . . . -49.18 -37.07 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.75 61.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -67.37 -47.16 71.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.46 6.04 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 44.68 39.26 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -113.43 164.81 14.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.638 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.461 1.769 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -66.68 -50.74 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.31 -44.86 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.638 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.2 mt -74.01 -27.23 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.41 138.33 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.0 t -139.26 156.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 mm -117.5 127.23 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -68.06 -66.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.54 123.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.895 HD12 ' HG3' ' A' ' 32' ' ' ARG . 23.8 mt -90.04 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -124.83 115.6 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.727 HG23 ' OG ' ' A' ' 64' ' ' SER . 5.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.727 ' OG ' HG23 ' A' ' 57' ' ' THR . 18.9 m -113.26 131.04 56.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.607 ' HB2' HD13 ' A' ' 22' ' ' ILE . 3.7 ptpp? -118.51 141.41 48.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.23 143.35 8.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.6 145.52 26.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -122.79 154.49 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -119.43 114.03 21.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.1 tp -100.16 124.29 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 69.2 m-85 -115.57 158.7 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.06 -32.51 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -136.17 156.45 48.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -81.55 -31.66 32.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.59 -53.42 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -45.35 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.2 ttp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.499 0.19 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.14 131.68 53.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.614 HG23 ' HD2' ' A' ' 21' ' ' PHE . 72.1 mt -117.42 145.46 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.436 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.2 pttt -133.3 112.56 11.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.3 110.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.456 HG22 ' HD2' ' A' ' 7' ' ' LYS . 3.4 mm -72.22 -69.15 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HD2' HG22 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -145.2 159.68 42.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -127.82 111.81 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.0 tttt -108.63 144.11 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 8.2 tttt -112.81 148.07 35.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -139.46 95.14 9.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.9 20.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.821 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.9 mt -68.29 -63.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.625 HD13 ' NH2' ' A' ' 16' ' ' ARG . 83.4 mt -78.01 -15.0 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 72.76 45.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.625 ' NH2' HD13 ' A' ' 14' ' ' LEU . 11.9 ptp180 -136.56 -172.36 3.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -145.67 119.72 9.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.6 115.34 27.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -120.55 134.43 55.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 2.1 m-20 -118.37 139.29 51.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.614 ' HD2' HG23 ' A' ' 3' ' ' ILE . 35.5 p90 -156.5 169.91 23.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.717 HD13 ' HB2' ' A' ' 65' ' ' LYS . 32.1 mm -120.77 134.25 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -102.81 121.47 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -117.88 151.68 36.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 6.9 p90 -163.21 171.8 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -130.96 57.88 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.72 -142.1 8.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.59 139.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -74.56 141.02 75.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 148.53 35.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 m -90.33 166.86 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.59 -43.06 95.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -66.76 -25.8 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.92 -46.42 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.97 -41.65 81.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.411 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -57.67 -53.95 52.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.8 m-20 -56.78 -38.77 72.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -63.45 -53.17 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD23 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -60.29 -53.9 52.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.45 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -36.4 60.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' LEU . 80.6 mtp -68.27 -46.04 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.62 HD11 HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -92.88 7.69 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.4 p30 41.82 37.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -106.86 164.57 14.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.678 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.5 Cg_endo -75.03 143.46 29.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.58 -50.11 54.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.5 pm0 -45.3 -37.19 4.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 ' HG2' ' A' ' 46' ' ' PRO . 32.9 mt -83.52 -29.18 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.42 125.2 30.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG21 ' HE2' ' A' ' 71' ' ' TYR . 3.4 t -129.74 161.62 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.416 HD13 ' HB2' ' A' ' 68' ' ' ALA . 13.0 mm -118.9 130.01 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -72.22 -62.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.46 124.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 32.5 mt -90.78 144.11 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -125.05 115.48 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.924 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.8 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.924 ' OG ' HG23 ' A' ' 57' ' ' THR . 50.9 m -127.01 132.77 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.717 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.4 ptpp? -117.52 144.84 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.02 140.07 6.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.505 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.53 132.56 34.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 111.015 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -112.52 154.14 26.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.87 112.85 19.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.74 ' HB3' HD11 ' A' ' 19' ' ' LEU . 15.7 tp -99.36 123.39 43.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.9 m-85 -106.82 163.75 12.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.21 -36.61 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -131.76 163.91 27.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -42.22 17.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -51.05 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -53.01 60.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.524 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.7 tmm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.504 0.193 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.02 124.24 46.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 39' ' ' LEU . 5.2 mt -108.2 144.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.28 112.55 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 mt -65.72 113.82 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.0 mm -76.49 -70.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -148.52 153.61 38.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.449 ' OD2' ' NH2' ' A' ' 17' ' ' ARG . 2.5 t0 -123.66 114.14 19.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 tttt -103.61 145.91 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -109.59 148.55 31.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.413 ' ND2' HD12 ' A' ' 14' ' ' LEU . 40.8 t-20 -151.69 95.84 3.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.77 20.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.6 mt -65.51 -63.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.413 HD12 ' ND2' ' A' ' 11' ' ' ASN . 23.5 mt -78.63 -5.85 54.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.9 32.58 15.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.8 ptt180 -124.68 -174.58 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -146.09 119.92 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -114.62 133.65 55.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.549 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 8.1 m-20 -112.98 138.25 50.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -153.15 172.36 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 11.8 mm -129.95 128.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 18.9 t -102.42 114.95 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 63' ' ' GLU . 5.7 mttm -113.47 147.4 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 6.1 p90 -158.64 160.46 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -102.92 68.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.8 165.18 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 t 57.76 160.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -120.2 119.59 30.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.38 28.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.6 m -83.76 174.82 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.845 ' HG3' HD12 ' A' ' 55' ' ' ILE . 8.7 mpt_? -68.55 -41.2 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -61.16 -40.56 94.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -50.42 64.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -62.24 -38.47 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.688 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.39 -50.28 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.6 m-20 -54.5 -41.57 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.5 tttp -61.27 -53.17 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -60.6 -53.92 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -49.45 -37.63 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.64 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.525 ' C ' HD23 ' A' ' 43' ' ' LEU . 61.9 mtp -68.07 -47.42 68.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.04 5.37 46.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 43.89 37.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.37 163.36 17.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 129.82 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -53.25 -52.13 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.64 -53.21 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HG2' ' A' ' 46' ' ' PRO . 21.0 mt -64.44 -28.14 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.36 138.38 34.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.0 t -139.38 156.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mm -117.19 122.16 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -65.46 -53.33 44.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 175.49 127.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.845 HD12 ' HG3' ' A' ' 32' ' ' ARG . 15.3 mt -90.11 144.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' LYS . 1.8 mtmt -125.09 113.44 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.797 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.5 m . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.797 ' OG ' HG23 ' A' ' 57' ' ' THR . 58.6 m -153.07 146.47 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -119.53 163.58 17.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.66 139.91 4.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.35 130.22 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -109.05 154.45 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -120.5 112.72 19.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.763 ' HB3' HD11 ' A' ' 19' ' ' LEU . 7.1 tp -98.48 126.02 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' N ' HD12 ' A' ' 70' ' ' LEU . 46.9 m-85 -112.77 154.61 25.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -76.88 -34.67 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.87 164.77 29.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -81.77 -35.18 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.62 -51.97 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -47.4 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.431 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 25.3 ttp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.529 0.204 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.06 130.91 56.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.503 HD12 ' HB3' ' A' ' 38' ' ' LYS . 6.8 mt -114.59 143.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.406 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -134.39 109.61 8.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 mt -60.57 112.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' ASP . 10.4 mm -74.96 -74.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.66 160.55 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -127.9 111.61 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.3 tttp -111.13 143.28 42.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.8 tttt -113.73 147.35 38.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -141.59 93.77 7.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.42 20.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -63.39 -60.02 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 82.3 mt -82.39 -20.11 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.3 t-20 82.03 33.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 23.7 ptt180 -124.47 -173.98 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.71 124.57 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -95.71 110.41 22.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -118.34 134.76 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.513 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 7.3 m-20 -117.2 140.23 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -154.84 161.09 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.66 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.2 mm -113.7 134.41 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 10.8 t -102.55 125.68 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -126.46 144.21 50.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 6.9 p90 -161.99 175.31 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.1 85.18 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -141.31 12.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -51.51 159.43 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.783 . . . . 0.0 110.013 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.736 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -84.45 145.84 46.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.736 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 161.37 38.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 m -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -45.83 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -61.28 -39.89 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -46.67 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.85 -37.4 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -64.46 -53.26 51.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.8 m-20 -56.41 -37.64 70.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -62.5 -51.65 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.579 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.81 -53.08 60.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.78 -36.75 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.42 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.481 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -68.32 -47.21 68.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.23 5.82 43.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 43.43 38.1 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.93 166.64 10.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.618 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 150.7 38.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -74.07 -49.21 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -46.84 -39.24 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.8 mt -79.86 -27.54 40.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 39' ' ' LEU . 2.5 tp -82.74 135.79 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -138.71 161.47 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.424 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 8.3 mm -120.33 125.95 74.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -69.84 -58.5 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.87 126.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -92.01 142.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.02 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m -116.14 131.01 57.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.66 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.5 ptpp? -120.69 140.08 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 138.88 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -84.42 138.29 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.61 154.45 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -119.97 114.71 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.689 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.9 tp -100.01 123.69 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 77' ' ' MET . 23.7 m-85 -109.15 151.14 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -88.62 -31.04 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.72 135.14 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.11 -39.88 93.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -49.68 -50.97 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -56.36 -53.47 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.513 ' HG3' ' CE2' ' A' ' 71' ' ' TYR . 3.2 tmm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.431 ' HE2' ' HD3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.85 139.5 50.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.691 HG23 ' HD2' ' A' ' 21' ' ' PHE . 67.3 mt -127.05 143.79 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 7.8 ptpt -131.89 115.46 15.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -69.79 105.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.1 mm -67.54 -69.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 160.68 42.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -129.24 108.31 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 3.9 tttm -95.26 148.14 22.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.49 146.92 37.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -149.24 92.4 4.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.47 20.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.95 -64.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 14.9 mt -76.71 -21.53 55.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 79.75 32.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' CZ ' ' CD1' ' A' ' 14' ' ' LEU . 34.6 ptt180 -122.99 -170.52 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -150.4 120.48 7.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -91.82 101.92 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.778 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -108.08 134.21 51.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.14 142.53 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.691 ' HD2' HG23 ' A' ' 3' ' ' ILE . 22.1 p90 -158.98 169.86 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.56 HD13 ' HB2' ' A' ' 65' ' ' LYS . 19.7 mm -120.53 133.5 67.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -103.01 128.01 56.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -125.57 148.34 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -161.68 173.44 14.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -129.95 71.12 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.3 -148.87 20.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.55 134.6 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.756 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -63.55 146.59 96.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.756 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -75.06 161.34 38.76 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -97.06 141.89 29.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.94 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HG3' HD12 ' A' ' 55' ' ' ILE . 7.6 mtp180 -47.23 -35.12 7.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -68.55 -40.14 80.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -44.06 92.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.03 -41.23 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -52.66 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -58.53 -36.35 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.535 ' HG2' HD12 ' A' ' 3' ' ' ILE . 3.4 tttp -64.64 -53.02 54.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.513 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -60.27 -53.54 56.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.75 -37.08 17.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.17 -37.61 61.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 32.1 mtp -66.54 -47.29 73.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.788 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.24 5.82 47.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 44.2 38.63 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.82 166.7 10.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.657 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 146.8 33.17 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.54 -49.59 39.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.22 -39.43 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.657 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -79.4 -28.24 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.65 129.54 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.073 . . . . 0.0 109.34 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.1 t -133.11 157.4 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.45 HD13 ' HB2' ' A' ' 68' ' ' ALA . 3.1 mm -118.66 125.24 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -66.9 -56.86 8.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.48 130.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.572 HD12 ' HG3' ' A' ' 32' ' ' ARG . 26.1 mt -91.45 142.23 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -125.04 117.47 24.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.708 HG23 ' OG ' ' A' ' 64' ' ' SER . 14.9 m -92.61 137.6 32.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -84.22 176.83 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' A' ' 61' ' ' MET . 20.7 m-85 -93.53 115.97 28.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 40.36 47.16 3.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' GLN . 1.2 mtm -123.62 4.48 8.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' MET . 7.5 mm100 38.11 57.49 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -164.24 132.15 3.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.708 ' OG ' HG23 ' A' ' 57' ' ' THR . 72.5 m -134.11 136.53 43.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.56 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -115.09 154.6 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.578 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -168.51 128.82 1.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -111.24 155.62 22.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -121.04 112.92 19.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' A' ' 19' ' ' LEU . 8.7 tp -99.3 125.3 44.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.539 ' N ' HD12 ' A' ' 70' ' ' LEU . 49.2 m-85 -113.12 157.46 21.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -87.04 -23.82 24.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -153.68 153.72 32.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.62 -36.96 43.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -48.97 -36.5 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 80' ' ' VAL . 2.4 mmt180 -74.73 -47.49 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 8.3 ttp -51.71 -35.51 43.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -70.27 -58.54 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -55.86 -40.56 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 76' ' ' ARG . 97.3 t -60.47 -48.18 89.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -6.83 52.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -92.99 -2.61 55.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.41 -30.86 47.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.32 25.5 2.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 85' ' ' VAL . 40.1 t -115.94 -0.25 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.54 80.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -128.1 147.31 50.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -115.5 171.62 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -162.45 39.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -164.66 155.52 14.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.658 HG22 ' HD2' ' A' ' 92' ' ' PRO . 1.5 p -57.26 142.31 75.81 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.658 ' HD2' HG22 ' A' ' 91' ' ' VAL . 18.1 Cg_endo -75.04 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.94 -127.54 0.1 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.6 t -143.44 -137.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 0.81 . . . . 0.0 109.951 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -168.99 136.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 179.18 132.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -157.25 144.63 18.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.63 152.35 6.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -138.72 -150.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.259 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.602 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 1.7 tt0 175.91 155.28 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.514 0.197 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.42 130.36 55.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 38' ' ' LYS . 44.3 mt -116.02 138.93 44.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 4.2 ptpt -129.72 110.86 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.14 112.76 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.32 -69.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -147.41 157.43 43.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -125.18 114.28 18.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -104.5 139.31 39.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 134.25 47.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -142.4 85.84 10.31 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -15.34 20.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.536 1.809 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.5 mt -61.17 -56.96 14.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.79 2.26 46.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 m120 58.77 44.96 16.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 34.2 ptt180 -139.35 -169.04 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.57 124.33 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -94.86 110.46 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -116.36 134.3 55.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 27.2 m-20 -114.65 141.16 48.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -156.86 167.75 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.3 mm -121.25 134.14 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.2 t -102.87 124.29 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -124.71 149.43 47.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -171.51 171.82 5.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.61 90.89 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.18 -144.4 16.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.23 139.3 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.014 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.474 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.7 m -77.29 139.34 64.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.474 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.03 157.26 42.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.88 161.4 13.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -58.86 -31.7 68.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -67.12 -52.24 44.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -55.79 -50.34 70.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.81 -38.11 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.621 ' HB3' HD21 ' A' ' 47' ' ' LEU . 7.1 mtt180 -60.68 -53.17 60.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -59.46 -36.53 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.552 ' HB3' HD12 ' A' ' 3' ' ' ILE . 6.4 tttp -61.26 -51.08 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -64.57 -53.46 47.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.98 -36.46 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.99 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.498 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.03 -47.18 72.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.82 3.58 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 45.41 39.97 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.98 166.06 11.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.621 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.05 131.91 14.77 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -56.08 -51.34 68.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.28 -51.04 8.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.621 HD12 ' HG2' ' A' ' 46' ' ' PRO . 25.7 mt -66.92 -27.19 67.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.695 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.52 137.1 34.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.2 t -139.34 158.24 28.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -118.68 127.46 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -68.37 -69.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -166.97 123.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.2 mt -87.99 141.65 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -125.0 111.44 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.65 HG23 ' OG ' ' A' ' 64' ' ' SER . 14.3 m -91.88 137.41 32.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -97.31 -177.61 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 104.91 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.58 -13.3 8.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.447 1.092 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' GLN . 19.5 ptp -124.93 1.46 8.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 61' ' ' MET . 25.3 mm100 37.11 60.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.94 138.79 32.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.65 ' OG ' HG23 ' A' ' 57' ' ' THR . 24.4 m -127.19 130.71 50.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -115.68 147.4 40.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.01 136.83 4.28 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -85.47 142.08 29.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -119.94 153.99 35.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -119.21 112.88 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.695 HD13 HD12 ' A' ' 50' ' ' LEU . 14.1 tp -99.53 123.13 43.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 68.9 m-85 -112.81 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.44 -36.15 10.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' OD2' ' NH2' ' A' ' 76' ' ' ARG . 19.1 m-20 -131.02 156.52 45.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.48 -38.62 29.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.03 -47.7 77.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.884 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.99 -50.86 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.1 ttp -50.92 -35.32 32.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -69.38 -58.99 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -34.15 69.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 76' ' ' ARG . 89.5 t -65.8 -47.62 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -6.8 35.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.6 tt0 -81.68 -0.97 45.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -30.8 17.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.89 27.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.474 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.0 t -112.74 -140.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.474 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.8 OUTLIER -43.1 97.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 85' ' ' VAL . 1.6 pttt -124.28 164.25 19.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -102.47 178.21 4.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -149.84 53.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -166.09 121.14 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.584 1.178 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 p -46.52 122.7 6.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.88 39.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.439 1.757 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.83 -128.24 0.19 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.5 t 171.58 118.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -144.2 143.17 30.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.7 p -119.5 -143.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.41 135.45 8.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.94 104.16 1.82 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -174.22 139.76 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.16 153.98 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.27 134.4 54.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 38' ' ' LYS . 44.1 mt -122.52 133.53 68.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.29 108.46 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.93 117.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.8 mm -81.54 -71.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -145.28 152.13 39.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -123.78 113.25 18.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttm -100.87 148.75 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.97 144.21 41.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -147.77 89.87 5.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -15.37 20.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.45 -64.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 11.3 mt -74.7 -21.68 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.9 t-20 80.84 40.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' CZ ' ' CD1' ' A' ' 14' ' ' LEU . 32.8 ptt180 -133.63 -166.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -154.47 118.61 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -90.54 105.64 17.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.33 135.11 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 15.3 m-20 -114.82 138.22 51.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.475 ' CD1' HD11 ' A' ' 39' ' ' LEU . 54.6 p90 -153.09 164.17 38.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' A' ' 65' ' ' LYS . 9.9 mm -116.53 133.76 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.1 t -104.22 123.02 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -123.42 146.43 48.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' HH ' HG23 ' A' ' 57' ' ' THR . 8.2 p90 -163.47 169.74 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -124.83 75.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.33 -142.06 9.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -50.28 159.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.691 HG23 ' HD2' ' A' ' 30' ' ' PRO . 3.0 m -86.96 144.93 37.36 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 150.65 38.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 m -86.7 156.42 19.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -58.34 -32.14 68.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -74.86 -27.81 60.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.8 -53.65 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG11 ' CE2' ' A' ' 21' ' ' PHE . 69.8 t -59.94 -40.14 82.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.23 -50.0 75.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.5 m-20 -62.66 -35.33 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.548 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.1 tttp -65.54 -51.43 59.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.34 -53.63 49.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.89 -37.84 20.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.77 -37.83 62.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.507 ' C ' HD23 ' A' ' 43' ' ' LEU . 74.0 mtp -67.77 -47.25 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.51 7.57 35.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER 42.16 38.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.87 166.42 10.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.667 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.0 146.06 32.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -71.4 -48.33 50.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -46.47 -37.24 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.667 HD12 ' HG2' ' A' ' 46' ' ' PRO . 35.2 mt -83.22 -27.37 30.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.64 135.17 35.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 3.8 t -137.83 161.97 32.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.3 mm -119.63 128.47 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -71.63 -62.67 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -174.99 121.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.2 mt -87.35 139.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -124.59 114.77 19.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.609 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.4 m -85.31 131.39 34.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.67 160.85 14.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -116.64 100.53 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.58 -27.52 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -148.56 24.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 0.795 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.542 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER 36.26 51.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -111.05 123.78 50.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.337 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.609 ' OG ' HG23 ' A' ' 57' ' ' THR . 4.8 m -112.48 130.3 56.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.8 ptpp? -117.79 139.85 50.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.49 138.64 5.94 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.435 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.8 m-85 -86.49 125.08 33.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -101.04 156.76 17.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -122.29 113.05 18.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.7 tp -99.73 123.89 44.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' N ' HD12 ' A' ' 70' ' ' LEU . 46.5 m-85 -112.95 161.74 16.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.74 -36.25 14.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -138.0 145.34 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.43 -41.4 69.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.81 -36.58 26.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.916 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.6 mmt180 -70.21 -50.79 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 38.0 ttp -50.98 -38.46 51.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -64.24 -60.28 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -57.19 -36.05 70.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 76' ' ' ARG . 99.1 t -64.12 -50.43 76.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -74.87 -6.69 50.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -78.62 -4.86 50.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -84.16 -30.28 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.346 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.423 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 1.6 t80 -89.67 27.32 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.47 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.2 t -115.69 -138.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -59.69 84.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' VAL . 0.1 OUTLIER -92.81 152.46 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.89 174.19 13.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -162.3 49.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.14 127.53 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.47 114.39 49.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -166.29 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.91 -123.16 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t 168.9 121.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.783 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -171.67 143.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.1 p -102.23 -142.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.365 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -153.64 164.53 38.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.12 123.51 2.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -174.39 139.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.55 171.68 7.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.522 0.201 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.39 133.16 56.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.55 HD12 ' HB3' ' A' ' 38' ' ' LYS . 46.3 mt -121.79 139.77 47.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -129.76 106.48 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.75 113.44 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' ASP . 7.9 mm -76.23 -73.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.56 153.86 42.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' HB2' HD23 ' A' ' 19' ' ' LEU . 1.4 t0 -123.85 113.81 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.5 tttp -100.78 146.83 26.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 7.7 tttt -113.65 148.69 35.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -153.82 93.84 2.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.32 20.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.16 -63.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 85.9 mt -79.3 -17.91 53.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 5.2 t-20 76.06 43.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -131.55 -168.36 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -156.4 115.59 3.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -89.63 110.6 21.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -114.27 134.53 54.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 3.9 m-20 -114.39 141.12 48.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' CD2' HG23 ' A' ' 3' ' ' ILE . 40.4 p90 -158.43 163.79 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.618 HD13 ' HB2' ' A' ' 65' ' ' LYS . 48.7 mm -115.65 134.28 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 t -102.83 125.18 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -124.95 145.07 50.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -160.63 177.06 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.78 81.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.85 -147.22 18.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.54 144.1 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.743 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.9 m -67.98 146.31 98.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.04 167.13 27.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 m -101.96 149.62 24.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.051 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -54.27 -46.13 72.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -62.22 -32.44 73.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.28 -42.94 61.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -69.03 -41.0 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -61.92 -46.68 88.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.1 m-20 -61.76 -29.67 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.55 ' HB3' HD12 ' A' ' 3' ' ' ILE . 5.4 tttp -70.65 -52.69 19.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.579 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -63.17 -53.49 52.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.79 -36.41 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.52 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.463 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -67.35 -47.28 70.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.779 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.69 5.58 42.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 44.64 38.44 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.28 166.01 11.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.651 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 145.85 32.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -70.53 -50.3 39.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.4 -38.71 6.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.651 HD12 ' HG2' ' A' ' 46' ' ' PRO . 28.7 mt -80.9 -29.73 35.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.44 124.37 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 2.6 t -127.84 159.72 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 68' ' ' ALA . 2.6 mm -119.06 129.14 75.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -71.41 -65.91 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.73 127.68 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.8 mt -92.15 143.07 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.1 114.52 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.49 HG23 ' OG ' ' A' ' 64' ' ' SER . 3.1 m -83.41 132.29 34.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -99.88 169.27 9.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.0 111.48 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 146.86 -31.06 1.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' GLN . 2.2 ptt? -142.29 23.34 2.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 0.778 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER 36.4 58.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm-20 -122.0 132.26 54.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.49 ' OG ' HG23 ' A' ' 57' ' ' THR . 8.3 m -119.19 134.62 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.618 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.0 ptpp? -120.08 143.16 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.97 139.69 6.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.545 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.9 136.13 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.985 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -113.65 157.0 22.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -121.37 113.04 19.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.651 ' HB3' HD11 ' A' ' 19' ' ' LEU . 9.3 tp -99.71 125.65 45.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.528 ' N ' HD12 ' A' ' 70' ' ' LEU . 38.2 m-85 -113.52 156.1 24.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.33 -22.15 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.62 157.07 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.8 -37.39 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.18 -48.37 73.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.867 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.79 -50.74 67.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.8 ttp -50.94 -36.8 40.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -67.7 -58.31 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -58.59 -31.88 68.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 76' ' ' ARG . 85.1 t -69.34 -55.31 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -6.88 34.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 42.4 tt0 -93.65 -3.52 52.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.22 -37.54 57.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.21 26.86 2.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.483 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.5 t -120.89 -135.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.483 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -64.55 76.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' VAL . 0.3 OUTLIER -82.5 155.33 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.41 -177.13 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -109.9 46.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -165.97 177.38 7.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.1 t -72.61 121.19 84.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -177.46 3.49 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.587 1.835 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -91.86 -74.82 1.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t 74.41 118.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.771 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.34 138.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 97' ' ' GLU . 8.8 t -133.57 -144.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.478 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.501 ' N ' HG23 ' A' ' 96' ' ' THR . 17.2 pt-20 -173.57 177.14 2.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.87 -174.01 13.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -173.88 139.63 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.64 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 2.7 pt-20 -99.58 131.57 45.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.468 0.175 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.98 142.43 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 38' ' ' LYS . 51.4 mt -127.28 145.45 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmt -135.72 111.33 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.21 112.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -74.31 -70.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -148.42 154.8 40.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -124.34 111.18 15.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -102.22 148.1 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -114.83 148.75 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -147.91 95.94 4.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.69 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 50.4 mt -79.31 -23.5 43.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 81.84 40.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 36.0 ptt180 -128.1 -171.0 2.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.58 115.32 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' OE2' ' NE ' ' A' ' 16' ' ' ARG . 33.2 mm-40 -88.18 103.36 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -108.09 133.91 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ILE . 8.6 m-20 -115.54 140.54 49.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 52.9 p90 -157.26 165.58 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.6 mm -119.86 133.92 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -102.92 125.9 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -122.1 146.4 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.497 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.8 p90 -160.56 179.35 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.64 68.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.08 -149.77 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.41 131.25 28.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.47 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 1.2 t -55.33 147.42 37.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.0 173.79 13.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.5 m -105.93 150.8 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.514 ' HG3' HD12 ' A' ' 55' ' ' ILE . 3.9 mtp180 -51.54 -38.55 54.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -64.19 -49.59 71.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.24 -49.34 76.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.7 t -65.7 -35.28 74.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -65.37 -53.09 48.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.6 m-20 -57.87 -29.35 64.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.542 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.9 tttp -69.78 -52.64 23.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.758 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -60.8 -53.56 55.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.95 -36.79 18.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.19 -37.75 61.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -68.27 -47.27 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.79 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.23 6.88 40.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 1.2 p30 42.23 38.23 1.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.27 165.89 11.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.636 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 141.71 26.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.535 1.808 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -65.81 -50.16 65.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -44.57 -40.26 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' HG2' ' A' ' 46' ' ' PRO . 30.6 mt -80.66 -30.51 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.758 HD21 ' HB3' ' A' ' 39' ' ' LEU . 0.8 OUTLIER -82.74 113.72 20.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 52' ' ' ILE . 9.7 t -119.23 165.45 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG12 ' NE ' ' A' ' 36' ' ' ARG . 2.9 mm -120.32 132.29 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -74.85 -52.91 10.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.8 125.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.514 HD12 ' HG3' ' A' ' 32' ' ' ARG . 16.6 mt -91.26 142.69 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 114.09 18.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.452 HG23 ' OG ' ' A' ' 64' ' ' SER . 23.9 m -90.1 138.72 31.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -112.96 169.17 9.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -126.14 109.52 12.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.88 -34.73 0.67 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' GLN . 8.3 ptt? -139.06 24.13 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 0.723 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER 36.56 57.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -119.64 139.16 52.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.452 ' OG ' HG23 ' A' ' 57' ' ' THR . 24.3 m -131.5 130.81 42.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.626 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -117.26 151.93 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -170.9 128.1 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -80.65 134.55 35.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.6 154.43 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -118.41 112.89 20.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.743 ' HB3' HD11 ' A' ' 19' ' ' LEU . 15.5 tp -100.08 123.47 44.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.3 m-85 -105.06 152.18 23.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.5 -30.87 42.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -143.41 158.96 43.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -79.14 -40.93 29.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.34 -50.9 61.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 1.048 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.83 -53.18 58.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.514 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.8 tmm? -49.06 -52.99 22.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -53.95 -50.37 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.18 -34.29 77.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.048 HG23 ' O ' ' A' ' 76' ' ' ARG . 57.7 t -66.39 -44.58 90.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -6.91 52.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.54 -1.02 44.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -84.65 -35.13 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.72 25.82 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.768 HG13 ' N ' ' A' ' 86' ' ' LEU . 2.4 p -84.06 -148.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.768 ' N ' HG13 ' A' ' 85' ' ' VAL . 4.1 mt -39.76 115.82 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -137.91 150.49 47.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.71 -172.67 4.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -148.52 49.49 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -171.01 128.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 92' ' ' PRO . 74.1 t -74.24 143.03 79.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 91' ' ' VAL . 18.4 Cg_endo -74.96 -174.86 2.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.044 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.98 -79.05 1.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.6 t 71.22 122.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -177.21 163.66 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.4 p -125.37 -143.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.16 134.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.61 139.21 5.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.09 -151.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 1.7 tt0 -178.3 127.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.43 138.09 50.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.556 HG21 HD12 ' A' ' 39' ' ' LEU . 5.6 mt -124.08 130.72 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 1.9 ptmt -124.21 113.33 18.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mt -64.39 117.29 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' CG1' HG12 ' A' ' 22' ' ' ILE . 3.5 mm -79.67 -68.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -148.34 153.15 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' HB2' HD23 ' A' ' 19' ' ' LEU . 2.8 t0 -123.72 113.9 19.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.3 tttp -100.12 147.15 25.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.96 144.12 32.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -153.06 82.33 4.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -18.81 18.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.2 mt -60.35 -57.81 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.637 ' O ' HG21 ' A' ' 80' ' ' VAL . 11.2 mt -84.6 2.01 43.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' ND2' ' NH1' ' A' ' 76' ' ' ARG . 30.8 m120 57.72 46.61 17.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.505 ' HD3' HD12 ' A' ' 14' ' ' LEU . 1.1 ptm180 -140.75 -169.9 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -154.23 125.27 7.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.51 107.63 20.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -113.67 136.78 52.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.541 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 10.1 m-20 -116.34 137.15 52.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 46.5 p90 -151.0 165.73 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.554 HD13 ' HB2' ' A' ' 65' ' ' LYS . 30.2 mm -118.46 133.9 63.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.0 123.25 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -121.94 148.07 45.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -161.06 172.68 16.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.76 63.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.71 -140.83 7.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -48.73 160.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.706 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.4 m -86.78 145.11 38.17 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.5 Cg_endo -74.97 158.64 42.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.82 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.4 m -98.71 150.25 22.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -49.19 -42.31 39.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -63.73 -43.25 97.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.5 -46.39 90.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.25 -37.33 75.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.705 ' HB3' HD11 ' A' ' 47' ' ' LEU . 1.7 mtt85 -63.08 -53.05 59.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' N ' HD11 ' A' ' 47' ' ' LEU . 5.4 m-20 -58.92 -40.06 83.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HG2' HD12 ' A' ' 3' ' ' ILE . 4.9 tttm -58.74 -52.35 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -61.92 -51.98 65.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.72 -36.3 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -39.96 60.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.508 ' C ' HD23 ' A' ' 43' ' ' LEU . 23.2 mtp -66.44 -47.07 74.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.79 6.32 44.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.2 p30 42.33 38.18 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.1 162.9 18.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.67 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 134.82 18.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -59.19 -48.84 80.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -46.06 -45.6 16.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.67 HD12 ' HG2' ' A' ' 46' ' ' PRO . 46.5 mt -75.16 -25.26 58.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -82.55 137.93 34.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 1.8 t -138.92 156.47 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' HG2' ' A' ' 36' ' ' ARG . 8.0 mm -116.67 123.55 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -65.41 -59.42 4.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.42 127.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.7 mt -90.52 141.53 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.17 115.0 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.4 m -93.57 138.47 31.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -82.93 -175.28 5.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -106.01 110.12 22.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.049 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.37 41.68 72.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -125.17 1.87 7.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 111.046 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' MET . 17.4 mm100 37.13 55.15 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -153.24 125.56 8.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.5 m -123.42 131.14 53.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.554 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.4 ptpp? -119.27 141.84 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.79 136.94 4.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.541 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.1 m-85 -82.34 144.34 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -120.05 154.57 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -118.44 112.99 20.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.701 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.6 tp -101.27 124.01 46.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' N ' HD12 ' A' ' 70' ' ' LEU . 34.1 m-85 -109.66 162.86 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.29 -32.02 18.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -148.04 163.28 37.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.15 -36.72 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.59 -51.41 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.883 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.77 -48.94 72.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 10.5 ttp -51.21 -35.57 37.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -70.32 -59.94 2.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -55.41 -28.98 57.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 76' ' ' ARG . 98.7 t -75.72 -54.92 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -6.81 35.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -82.9 -3.22 56.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -81.65 -32.82 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.23 26.35 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.774 HG13 ' N ' ' A' ' 86' ' ' LEU . 1.9 p -91.16 -150.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.774 ' N ' HG13 ' A' ' 85' ' ' VAL . 1.1 pp -55.39 99.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -109.41 154.45 22.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' C ' ' CG ' ' A' ' 89' ' ' ASN . 11.7 ttm180 -109.07 162.15 14.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' CG ' ' C ' ' A' ' 88' ' ' ARG . 2.5 m-80 -163.77 50.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -169.39 158.63 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 85.8 t -78.12 132.54 66.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.3 Cg_endo -75.0 -169.18 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.69 -122.72 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 t 167.6 125.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.034 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.84 117.99 32.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.595 HG23 ' N ' ' A' ' 97' ' ' GLU . 12.9 t -111.18 -144.12 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.595 ' N ' HG23 ' A' ' 96' ' ' THR . 0.9 OUTLIER 172.78 99.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -159.99 58.14 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -105.24 102.58 12.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.9 OUTLIER 178.79 131.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.521 0.201 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.76 144.31 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' A' ' 38' ' ' LYS . 8.5 mt -132.64 135.6 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.458 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 4.4 pttt -127.04 110.53 13.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.6 mt -62.26 109.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.2 mm -72.02 -73.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -144.89 155.6 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.96 112.85 17.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.8 tttp -103.94 146.5 28.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -112.37 148.99 33.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -146.32 96.62 4.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.1 18.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.08 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 36.8 mt -78.99 -17.01 56.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 74.82 28.76 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -118.46 -176.84 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -144.07 118.22 9.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.34 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -90.51 110.12 21.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -114.31 134.52 54.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 6' ' ' ILE . 10.4 m-20 -114.11 140.63 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -158.6 160.61 36.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.68 HD13 ' HB2' ' A' ' 65' ' ' LYS . 28.1 mm -113.67 133.16 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -103.0 126.49 57.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -126.67 147.25 49.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 6.4 p90 -161.14 167.35 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -126.85 40.85 3.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.12 -144.17 3.88 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.33 157.37 31.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -68.66 125.99 92.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.63 32.9 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -80.46 169.13 18.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.459 ' HG3' HD12 ' A' ' 55' ' ' ILE . 11.7 mtp180 -67.92 -33.71 75.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -66.76 -42.23 86.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -50.53 69.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.82 -34.94 71.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -53.08 49.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.73 -23.81 31.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HB3' HD12 ' A' ' 3' ' ' ILE . 2.3 tttp -76.58 -50.81 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.542 HD12 HG21 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -64.02 -53.18 54.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.71 -36.38 16.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.05 -37.36 61.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.476 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.43 -47.23 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.19 3.18 55.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 45.3 39.17 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -107.31 163.39 17.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.658 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.0 126.91 10.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.52 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -52.72 -48.35 66.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.32 -47.04 18.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.658 HD12 ' HG2' ' A' ' 46' ' ' PRO . 38.3 mt -73.12 -25.11 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.477 HD12 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -82.6 137.85 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.1 t -138.75 158.92 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mm -119.15 125.91 74.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -68.32 -65.6 0.68 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -172.89 121.41 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.459 HD12 ' HG3' ' A' ' 32' ' ' ARG . 49.0 mt -86.88 140.85 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.87 115.23 20.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.815 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.2 m -86.3 130.97 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -98.44 167.17 10.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -120.89 106.06 11.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.45 -31.52 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.83 26.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 111.018 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 36.33 51.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.488 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -110.72 121.53 45.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.815 ' OG ' HG23 ' A' ' 57' ' ' THR . 16.2 m -111.0 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.948 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.68 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.6 ptpp? -118.27 143.29 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.11 139.75 6.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 9.1 m-85 -89.0 126.08 35.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -102.11 155.54 18.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -119.21 113.0 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.632 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.2 tp -98.89 122.91 42.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' N ' HD12 ' A' ' 70' ' ' LEU . 32.3 m-85 -109.61 156.47 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.16 -22.11 25.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.92 160.35 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.63 -29.37 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.91 -46.76 84.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 80' ' ' VAL . 14.5 mmt-85 -62.49 -45.09 94.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 17.3 ttp -50.97 -37.15 42.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -69.92 -58.18 4.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.55 -31.36 64.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 76' ' ' ARG . 97.3 t -71.8 -49.03 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -72.59 -6.8 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -75.82 -1.98 27.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -87.22 -28.38 22.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 26.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.3 t -114.3 -136.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.555 HD23 ' H ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -59.72 84.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' VAL . 26.6 pttt -89.15 155.03 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.32 -175.54 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -148.45 46.01 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -170.36 124.57 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 91' ' ' VAL . 0.5 OUTLIER -55.16 121.15 34.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.92 -133.51 7.8 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t 171.11 124.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -156.21 154.18 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.574 HG23 ' N ' ' A' ' 97' ' ' GLU . 11.5 t -129.23 -143.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.574 ' N ' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER 174.21 172.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.356 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.69 126.75 3.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.4 -151.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.269 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 9.7 pt-20 -112.45 130.84 55.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.435 0.16 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.05 142.64 46.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 38' ' ' LYS . 37.5 mt -125.79 148.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 7.5 ptpt -134.61 114.3 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.83 108.59 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.4 mm -71.32 -69.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -147.96 156.08 42.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -125.34 111.46 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 8.5 tttp -102.62 144.16 31.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.1 tttt -111.93 149.1 32.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -153.26 96.25 2.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.5 20.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.778 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.97 -62.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 26.1 mt -76.99 -17.88 58.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 75.54 33.97 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 13.3 ptp180 -129.14 -174.31 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -145.58 121.72 10.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -91.76 106.68 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.56 134.42 53.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 7.2 m-20 -116.01 139.4 50.3 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -156.82 173.01 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 65' ' ' LYS . 6.4 mm -127.97 133.27 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 3.3 t -102.85 124.35 56.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -122.59 149.81 43.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.543 ' CE2' ' HA ' ' A' ' 62' ' ' GLN . 2.4 p90 -160.09 168.35 25.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.01 55.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.56 161.34 11.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 t 62.37 161.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -117.18 118.87 35.46 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.87 25.88 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.4 m -86.31 172.76 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.563 ' HG3' HD12 ' A' ' 55' ' ' ILE . 6.6 mtp180 -65.73 -42.51 90.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -66.25 -29.77 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -41.91 63.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.441 HG13 HD11 ' A' ' 3' ' ' ILE . 43.0 t -71.96 -46.43 59.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.669 ' HG3' HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -51.62 -52.91 43.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' N ' HD11 ' A' ' 47' ' ' LEU . 1.7 m-20 -52.96 -31.59 41.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.615 ' HB3' HD12 ' A' ' 3' ' ' ILE . 1.3 tttt -71.64 -52.04 20.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -62.66 -53.05 60.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.72 -35.8 14.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.02 -38.09 61.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.467 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -68.73 -47.36 66.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.71 5.67 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 43.09 37.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -108.08 165.9 11.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.664 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.97 143.3 29.01 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD11 ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.96 -50.73 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.27 -40.39 7.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.664 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.7 mt -78.89 -29.39 44.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.545 HD12 HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.51 124.5 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.577 ' C ' HD13 ' A' ' 52' ' ' ILE . 1.6 t -127.49 152.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.669 HD11 ' HG3' ' A' ' 36' ' ' ARG . 6.7 mm -105.49 122.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.02 -55.96 15.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.75 120.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.563 HD12 ' HG3' ' A' ' 32' ' ' ARG . 19.6 mt -89.48 141.22 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -123.45 114.01 19.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.6 m -91.93 138.17 31.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -81.4 -173.6 4.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -103.69 103.23 13.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.2 40.92 68.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER -119.52 5.27 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 111.017 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.543 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 20.1 mm100 38.13 58.66 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -156.3 128.98 7.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -129.21 126.89 40.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.734 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.7 ptpp? -117.82 146.71 43.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.3 142.52 7.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 5.6 m-85 -90.48 127.85 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -102.62 153.44 20.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -115.71 112.84 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.785 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.3 tp -99.36 124.17 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.2 m-85 -113.77 157.43 22.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -82.4 -28.0 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -148.27 154.11 39.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.61 54.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.92 -48.93 42.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.917 ' O ' HG23 ' A' ' 80' ' ' VAL . 2.3 mmt180 -60.16 -49.46 77.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.5 ttp -50.94 -38.77 52.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -63.11 -61.1 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -56.83 -36.67 70.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 76' ' ' ARG . 97.4 t -62.91 -48.76 86.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.74 -6.86 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.503 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -94.42 -3.23 50.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' HA ' HD21 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -73.07 -33.25 65.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.79 25.98 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.45 -0.8 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 82' ' ' GLN . 0.5 OUTLIER -125.02 80.27 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -131.3 147.71 52.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.07 171.62 13.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -163.84 45.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.53 130.47 10.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 t -88.13 118.78 69.98 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.97 -133.18 5.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.565 1.166 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.6 t 169.96 125.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -152.43 155.06 36.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.22 130.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 176.99 108.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -130.51 84.17 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -137.35 -151.76 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.8 OUTLIER 178.68 150.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.557 0.217 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.42 128.8 55.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.572 HG22 ' CE ' ' A' ' 42' ' ' MET . 11.6 mt -112.41 145.2 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -136.38 107.57 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.76 113.94 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.7 mm -76.35 -70.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.02 160.72 41.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' HB2' HD23 ' A' ' 19' ' ' LEU . 1.8 t0 -131.41 111.2 11.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 13.5 tttt -100.14 145.67 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -111.34 148.83 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -150.41 96.29 3.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.51 20.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.6 mt -63.66 -65.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 16' ' ' ARG . 55.9 mt -78.36 -13.91 59.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 70.87 41.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 33.2 ptt180 -128.97 -170.4 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.2 ttp180 -153.1 113.42 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -85.98 107.23 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -110.46 134.67 52.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 6' ' ' ILE . 23.0 m-20 -115.28 140.26 49.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.716 ' CD2' HD11 ' A' ' 39' ' ' LEU . 19.9 p90 -156.4 168.29 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 65' ' ' LYS . 18.3 mm -124.21 131.47 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -103.21 124.06 57.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -121.7 148.29 44.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.463 ' CE1' ' CD ' ' A' ' 30' ' ' PRO . 21.0 p90 -167.18 167.63 14.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.29 67.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.67 -141.82 7.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -52.14 152.84 3.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 1.6 m -80.92 137.85 50.03 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' CD ' ' CE1' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -75.03 146.53 32.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -94.0 148.27 22.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HG2' HG21 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -46.89 -34.35 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -64.12 -49.82 70.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.91 -55.64 32.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 21' ' ' PHE . 89.9 t -54.97 -35.0 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.718 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -63.12 -53.92 45.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.7 m-20 -55.48 -42.71 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.546 ' HB3' HD12 ' A' ' 3' ' ' ILE . 13.0 tttm -60.46 -51.95 67.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.716 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -58.14 -54.25 49.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.2 -37.34 22.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.28 -38.12 60.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.572 ' CE ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -67.32 -47.62 70.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.809 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.84 5.4 48.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 42.74 37.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -106.54 166.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.7 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -74.96 120.62 6.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.8 OUTLIER -46.86 -50.39 18.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.11 -54.57 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 46' ' ' PRO . 47.2 mt -64.68 -25.81 68.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD12 HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -82.47 136.12 34.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.2 t -139.11 158.73 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 12.7 mm -118.31 126.94 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -176.03 123.53 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.425 HD13 ' HA3' ' A' ' 66' ' ' GLY . 1.6 mm -84.41 143.07 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.7 110.9 14.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.458 HG23 ' OG ' ' A' ' 64' ' ' SER . 26.8 m -89.22 138.92 31.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -96.56 -174.19 2.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -146.6 102.11 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.23 -6.93 10.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLN . 10.7 ptp -131.08 4.74 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' MET . 22.1 mm100 37.62 48.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.231 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.0 140.9 51.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.458 ' OG ' HG23 ' A' ' 57' ' ' THR . 25.2 m -134.09 130.94 38.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.541 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -115.45 151.68 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' HA3' HD13 ' A' ' 55' ' ' ILE . . . -162.44 126.21 1.52 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.098 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.65 120.79 25.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -102.69 154.78 18.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -120.52 112.68 19.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.679 ' HB3' HD11 ' A' ' 19' ' ' LEU . 9.3 tp -96.87 124.75 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.516 ' N ' HD12 ' A' ' 70' ' ' LEU . 32.7 m-85 -110.95 158.39 18.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.23 -30.28 21.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.06 160.71 40.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.39 -40.63 21.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.05 -45.61 52.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.949 ' O ' HG23 ' A' ' 80' ' ' VAL . 2.4 mmt180 -61.58 -50.71 71.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.1 ttp -50.81 -35.45 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.91 -60.48 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -52.12 -38.25 56.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 76' ' ' ARG . 57.3 t -64.14 -51.98 61.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -7.18 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.447 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 14.7 tp60 -85.19 -1.36 56.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -89.97 -29.77 18.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.424 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -89.5 23.98 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.498 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.6 t -102.11 -135.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' H ' HG12 ' A' ' 85' ' ' VAL . 4.4 mt -41.01 104.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -135.54 154.03 51.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -136.43 176.24 8.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -148.99 49.26 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -165.61 123.72 1.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.607 HG22 ' HD2' ' A' ' 92' ' ' PRO . 1.6 p -53.09 140.73 41.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.607 ' HD2' HG22 ' A' ' 91' ' ' VAL . 18.3 Cg_endo -75.04 -175.37 2.33 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.98 -131.64 7.43 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t 170.55 123.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 0.802 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.2 OUTLIER -112.81 -168.77 1.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER 178.25 132.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -163.65 156.24 17.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.01 91.13 0.87 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.24 -150.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.258 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.659 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 17.7 tt0 -178.66 142.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.686 ' HE1' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.474 0.178 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.04 134.94 54.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.686 HD11 ' HE1' ' A' ' 1' ' ' MET . 10.3 mt -115.0 141.7 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 0.6 OUTLIER -131.63 105.67 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -58.3 116.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.5 mm -80.0 -69.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -147.28 156.2 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 114.65 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -103.99 141.92 35.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -105.56 136.64 44.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -140.19 85.84 13.43 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -15.21 20.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.09 -65.19 0.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 15.4 mt -75.69 -16.66 60.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 1.2 t-20 79.44 38.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 18' ' ' GLU . 34.2 ptt180 -131.41 -170.2 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -150.87 121.84 7.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 16' ' ' ARG . 6.0 mm-40 -93.22 110.18 21.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -115.78 134.96 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.52 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 9.0 m-20 -115.59 138.67 50.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE2' ' CG1' ' A' ' 35' ' ' VAL . 53.9 p90 -156.02 164.41 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.705 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.0 mm -118.06 134.2 62.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.2 t -102.8 124.09 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -119.62 146.51 45.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.5 p90 -158.71 171.53 19.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.98 58.45 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.47 -141.77 7.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -46.81 139.89 5.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.653 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.8 m -71.22 143.77 88.78 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -74.99 156.82 43.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 m -95.85 167.83 11.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -66.7 -33.1 74.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 10.7 p30 -72.91 -36.64 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 48.1 m-20 -64.94 -44.74 88.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG22 ' HE2' ' A' ' 1' ' ' MET . 70.9 t -69.89 -37.64 73.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -49.49 74.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 4.8 m-20 -62.9 -42.33 99.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -59.87 -50.07 75.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.0 -53.66 50.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.76 -37.76 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.6 61.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.496 ' C ' HD23 ' A' ' 43' ' ' LEU . 77.1 mtp -68.16 -47.33 68.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.43 8.06 32.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.6 p30 41.92 39.13 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -112.19 166.33 11.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.65 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.97 148.5 35.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -72.69 -49.52 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.33 -37.93 8.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.65 HD12 ' HG2' ' A' ' 46' ' ' PRO . 31.8 mt -81.92 -27.89 33.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.646 HD21 ' HB3' ' A' ' 39' ' ' LEU . 1.2 tp -82.47 134.32 35.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG21 ' SD ' ' A' ' 77' ' ' MET . 2.0 t -138.65 159.29 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.8 mm -118.98 126.33 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -68.2 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -176.78 124.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 53.6 mt -87.79 140.04 16.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 113.61 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 m -90.98 137.41 32.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.413 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.85 -176.53 6.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -100.72 110.18 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.68 40.97 26.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -118.86 3.58 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.976 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' MET . 13.5 mm100 38.03 60.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -160.85 127.81 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.9 m -127.0 128.64 46.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.705 ' HB2' HD13 ' A' ' 22' ' ' ILE . 4.6 ptpp? -116.95 146.54 42.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.84 141.98 7.57 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.08 125.63 35.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -103.81 154.69 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -120.23 112.95 19.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.724 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.2 tp -100.54 123.19 44.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' N ' HD12 ' A' ' 70' ' ' LEU . 56.3 m-85 -110.95 165.66 11.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.2 -26.37 17.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.2 159.88 42.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.68 -40.44 20.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -49.55 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.939 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.79 -51.32 66.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.455 ' SD ' HG21 ' A' ' 51' ' ' VAL . 3.9 ttp -50.72 -40.08 53.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -65.64 -57.99 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -57.53 -28.99 64.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 76' ' ' ARG . 97.3 t -74.09 -53.34 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -6.77 35.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.45 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.0 mt-30 -78.26 -0.91 30.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.61 -30.69 17.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.22 26.47 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.4 t -106.45 -136.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.501 ' H ' HG12 ' A' ' 85' ' ' VAL . 4.0 mt -40.16 101.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.74 148.55 52.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.69 174.68 13.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -157.39 46.56 0.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -166.68 125.23 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.67 132.94 20.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -166.33 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.808 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.84 -125.86 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.2 t -147.71 -136.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.95 141.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.481 ' OG1' ' N ' ' A' ' 97' ' ' GLU . 10.2 t -122.61 -145.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' N ' ' OG1' ' A' ' 96' ' ' THR . 1.3 tm-20 -148.56 144.63 27.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.76 119.34 2.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -174.52 139.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.294 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 2.3 tp10 -177.87 119.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.515 0.198 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.65 148.83 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 38' ' ' LYS . 5.1 mt -134.01 140.64 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 13.6 ptpt -133.68 114.74 13.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.71 107.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -68.97 -74.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -139.19 161.36 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' CG ' ' NH1' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -125.64 112.09 15.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 tttm -112.84 143.25 44.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -114.91 148.72 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -143.3 96.6 5.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.65 20.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.9 mt -63.2 -64.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.73 -13.59 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 73.3 41.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 31.6 ptt180 -133.39 -172.59 2.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.416 ' NH1' ' CG ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -141.61 127.54 19.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.15 110.2 22.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -118.44 135.97 54.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 5.7 m-20 -118.0 143.22 46.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -160.11 166.36 29.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.769 HD13 ' HB2' ' A' ' 65' ' ' LYS . 6.7 mm -118.0 131.62 70.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.74 124.38 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -119.16 152.96 35.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -165.16 167.05 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.52 72.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.87 -142.03 8.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -56.84 151.08 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.454 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.4 m -74.39 139.59 75.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.454 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.06 166.84 28.3 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -97.88 166.89 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -42.58 82.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -67.24 -26.47 66.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.8 -53.69 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.62 -40.19 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -53.46 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.7 m-20 -54.21 -27.45 34.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HB3' HD12 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -73.48 -52.47 13.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -60.86 -53.27 59.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.508 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.68 -36.12 15.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.1 -37.56 61.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.482 ' C ' HD23 ' A' ' 43' ' ' LEU . 9.5 mtm -69.13 -47.37 65.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -91.45 5.29 50.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER 42.16 37.73 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -105.46 162.8 18.61 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.627 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.0 127.08 10.4 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.508 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -53.13 -47.86 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 12.9 pt-20 -46.47 -44.29 17.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.627 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.4 mt -76.44 -25.4 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD12 HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -82.62 136.8 34.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.14 158.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 mm -119.86 125.2 74.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -66.46 -57.83 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 177.08 127.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -88.4 136.34 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.58 113.41 24.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.799 HG23 ' OG ' ' A' ' 64' ' ' SER . 7.4 m -102.12 134.1 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.45 ' C ' ' CE ' ' A' ' 61' ' ' MET . 4.3 mt-10 -107.5 -171.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.57 105.81 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.43 -2.33 6.14 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -133.48 6.58 3.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 0.731 . . . . 0.0 111.003 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.514 ' C ' ' O ' ' A' ' 61' ' ' MET . 25.8 mm100 29.45 67.76 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 22' ' ' ILE . 1.6 tm-20 -162.96 146.66 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.799 ' OG ' HG23 ' A' ' 57' ' ' THR . 67.9 m -129.77 137.96 50.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.769 ' HB2' HD13 ' A' ' 22' ' ' ILE . 2.9 ptpp? -124.04 143.58 50.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.37 141.03 7.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -86.65 131.01 34.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -108.62 154.23 22.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -120.63 114.06 21.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.728 ' HB3' HD11 ' A' ' 19' ' ' LEU . 11.8 tp -100.74 124.4 46.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.474 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 58.2 m-85 -113.05 160.98 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' C ' HD13 ' A' ' 49' ' ' LEU . 72.1 mt-10 -91.21 -33.73 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -136.46 156.35 48.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.44 -40.01 21.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -49.17 54.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.92 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -57.31 -50.33 73.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.3 ttp -51.07 -38.6 52.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -63.93 -60.98 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -56.58 -33.05 65.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 76' ' ' ARG . 97.9 t -68.79 -51.8 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.79 -6.81 40.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.498 ' O ' HG12 ' A' ' 85' ' ' VAL . 10.5 mt-30 -93.9 -1.08 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -76.11 -38.31 57.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.17 27.3 9.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.766 HG13 ' N ' ' A' ' 86' ' ' LEU . 1.7 p -98.87 -150.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.766 ' N ' HG13 ' A' ' 85' ' ' VAL . 3.3 pp -43.37 103.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -123.51 157.26 33.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -130.79 171.29 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -162.82 48.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.18 128.89 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 t -84.48 117.31 68.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.72 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.01 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.96 -123.03 0.16 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.3 t 168.75 125.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 0.0 110.009 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -137.41 136.87 38.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -173.84 129.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -177.55 171.71 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.84 94.9 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -174.35 139.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.548 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.4 OUTLIER -164.04 155.02 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.48 0.181 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.93 144.37 42.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.485 HD12 ' HB3' ' A' ' 38' ' ' LYS . 29.7 mt -132.21 136.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 8.9 ptpt -127.87 112.83 15.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mt -64.5 111.07 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.4 mm -71.98 -67.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -150.62 158.47 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.35 109.94 13.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.6 tttp -100.11 144.1 29.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -113.05 148.77 34.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -152.58 96.11 3.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -15.35 20.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.96 -59.01 3.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.98 -17.48 52.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.46 29.28 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' CZ ' ' OE2' ' A' ' 18' ' ' GLU . 29.7 ptt180 -122.06 -170.96 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.13 120.05 7.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.452 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 67.1 mm-40 -91.73 104.08 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -109.41 134.08 52.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 27.6 m-20 -116.2 142.57 46.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.489 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 34.9 p90 -160.07 165.04 32.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' A' ' 65' ' ' LYS . 16.0 mm -116.58 132.54 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.0 t -103.24 120.72 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -115.95 145.57 42.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -162.91 174.84 11.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.956 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.17 70.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.86 -147.97 18.76 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.76 133.1 2.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.719 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -64.85 145.72 98.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.97 145.14 31.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -88.6 153.92 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.948 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -56.02 -37.08 68.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -73.69 -25.18 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -48.82 23.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -64.54 -42.84 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.739 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -57.67 -51.98 67.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.463 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.9 m-20 -56.51 -32.76 65.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HB3' HD12 ' A' ' 3' ' ' ILE . 10.0 tttm -71.1 -52.25 20.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.26 -53.77 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.64 -36.7 16.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.31 60.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.456 ' C ' HD23 ' A' ' 43' ' ' LEU . 52.5 mtp -67.82 -47.32 69.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.737 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.85 6.31 42.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' CG ' ' C ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER 42.32 38.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -107.88 166.14 11.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.711 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 121.58 6.66 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.739 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -49.16 -48.86 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -45.35 -50.02 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 46' ' ' PRO . 38.9 mt -68.91 -25.93 64.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.66 137.16 34.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.28 161.37 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 68' ' ' ALA . 3.1 mm -121.0 128.03 76.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HB2' ' CE ' ' A' ' 69' ' ' LYS . 18.3 tt0 -71.54 -57.42 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.45 128.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 44.6 mt -92.12 141.13 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -123.55 110.85 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.691 HG23 ' OG ' ' A' ' 64' ' ' SER . 28.0 m -88.56 139.27 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HB2' ' CG ' ' A' ' 61' ' ' MET . 3.7 mm-40 -94.61 174.97 6.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -130.85 102.01 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.29 -9.47 10.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.441 ' CG ' ' HB2' ' A' ' 58' ' ' GLU . 24.8 ptp -126.96 2.7 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' MET . 25.2 mm100 37.43 55.4 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -136.43 147.39 47.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.691 ' OG ' HG23 ' A' ' 57' ' ' THR . 67.6 m -138.33 135.19 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.527 ' HB2' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -120.73 145.85 47.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -158.78 130.87 2.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.43 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -82.45 120.56 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -98.96 156.93 16.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 53' ' ' GLN . 2.1 mtmp? -121.5 114.11 20.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.761 ' HB3' HD11 ' A' ' 19' ' ' LEU . 13.4 tp -101.76 124.28 47.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' N ' HD12 ' A' ' 70' ' ' LEU . 60.2 m-85 -111.95 168.48 9.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -95.78 -35.68 11.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -136.77 158.46 44.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.47 -44.77 20.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.05 -44.24 41.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.923 ' O ' HG23 ' A' ' 80' ' ' VAL . 2.3 mmt180 -62.16 -51.09 69.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.8 ttp -51.42 -38.4 53.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -66.07 -59.49 3.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -55.51 -36.62 66.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 76' ' ' ARG . 93.8 t -65.6 -53.33 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -69.85 -6.91 35.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 2.8 mt-30 -94.81 -1.09 53.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.84 -40.94 65.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.82 25.86 2.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.484 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.4 t -120.04 -135.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.843 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.3 pp -59.98 84.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' VAL . 12.0 pttt -97.92 160.29 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -137.48 178.29 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 88' ' ' ARG . 7.4 m120 -152.45 48.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -168.58 137.2 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.2 p -46.73 124.32 7.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.444 1.76 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.55 -129.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.8 p -141.29 -137.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -164.22 152.72 13.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -179.6 132.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.7 128.54 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.88 -164.17 31.23 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -128.84 -150.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.66 163.46 39.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.27 144.36 40.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 39' ' ' LEU . 20.2 mt -131.39 137.36 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.377 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.8 pttt -131.31 111.85 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -62.82 113.87 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' ASP . 5.4 mm -75.64 -73.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -137.11 160.07 40.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -126.86 108.31 10.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' GLU . 8.5 tttt -112.18 141.03 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -112.66 148.77 33.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -138.49 95.4 10.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -16.25 20.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -64.99 -56.85 10.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 72.6 mt -85.17 -18.91 32.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 3.6 t-20 80.49 33.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -124.91 -174.91 3.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.514 ' HD2' HD21 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -140.75 125.46 18.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.3 mm-40 -94.58 107.17 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -116.42 134.43 54.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.482 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 12.4 m-20 -118.64 144.93 45.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.519 ' CD2' HG23 ' A' ' 3' ' ' ILE . 25.3 p90 -161.26 164.38 30.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.437 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 15.6 mm -114.21 133.37 60.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 t -102.63 117.62 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -114.29 155.0 27.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 15.1 p90 -168.14 -179.98 4.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -138.13 73.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.248 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.58 -141.13 9.0 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -53.3 159.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.631 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.8 m -85.03 143.34 39.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.6 Cg_endo -74.95 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.8 m -105.89 143.48 33.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -46.06 -37.69 7.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -65.2 -44.32 88.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -49.85 75.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.72 -39.62 85.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.751 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -59.2 -50.64 73.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.512 ' N ' HD11 ' A' ' 47' ' ' LEU . 4.0 m-20 -61.68 -32.4 72.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.511 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -66.85 -52.91 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.58 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -62.91 -53.17 58.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -48.71 -37.61 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.09 -37.89 61.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.476 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.8 mmm -68.14 -47.17 68.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.56 5.3 43.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 44.6 38.84 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.538 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -112.14 165.59 12.66 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.616 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.04 139.24 23.94 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -62.86 -50.55 70.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -45.08 -49.03 11.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.616 HD12 ' HG2' ' A' ' 46' ' ' PRO . 27.6 mt -68.76 -27.18 65.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.65 HD12 HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -82.62 138.77 34.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.4 t -139.14 159.13 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mm -121.0 125.17 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -68.17 -64.9 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -170.65 124.47 0.68 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.354 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 39.1 mt -91.25 139.15 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 118.26 25.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.64 HG23 ' OG ' ' A' ' 64' ' ' SER . 17.5 m -95.33 138.13 33.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.434 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 61' ' ' MET . 7.6 mm-40 -91.88 176.31 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.2 98.81 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.31 -16.36 6.01 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 62' ' ' GLN . 16.4 ptp -123.64 5.01 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 0.795 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.599 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 35.85 47.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -123.81 141.25 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.64 ' OG ' HG23 ' A' ' 57' ' ' THR . 70.9 m -126.65 134.49 50.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -120.81 141.25 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.16 137.98 5.21 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.482 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.4 m-85 -89.22 123.53 33.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -99.94 154.36 18.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -119.86 113.42 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.8 tp -100.19 125.62 46.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.441 ' N ' HD12 ' A' ' 70' ' ' LEU . 21.7 m-85 -108.69 158.14 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -86.46 -24.19 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -148.88 159.2 44.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.94 -38.45 22.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -45.4 62.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.942 ' O ' HG23 ' A' ' 80' ' ' VAL . 1.5 mmt180 -63.77 -47.28 81.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.5 ttp -51.2 -36.67 42.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -75.03 -54.99 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 82' ' ' GLN . 2.3 mt-30 -53.9 -30.18 44.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 76' ' ' ARG . 48.7 t -79.4 -35.35 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.34 -6.63 44.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' O ' HG12 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -89.52 -4.9 57.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -76.17 -31.24 58.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.403 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -112.09 27.0 10.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.787 HG13 ' N ' ' A' ' 86' ' ' LEU . 1.7 p -101.34 -151.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.787 ' N ' HG13 ' A' ' 85' ' ' VAL . 1.0 OUTLIER -50.81 94.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 85' ' ' VAL . 1.2 ptpt -105.54 156.21 18.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -114.45 165.57 12.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -163.24 50.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -173.16 130.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.2 p -54.64 128.29 61.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -163.78 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -65.89 -125.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.6 t -148.64 -137.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.045 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -103.86 -165.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER 177.47 131.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.85 155.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.01 154.96 20.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.33 -150.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 175.18 172.59 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.51 0.195 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.95 147.56 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 21' ' ' PHE . 81.2 mt -134.5 143.91 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.41 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 5.3 pttt -134.27 103.94 5.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.11 114.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' ASP . 3.3 mm -76.59 -70.78 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -146.73 155.9 42.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -125.12 110.05 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 9.8 tttt -100.07 144.73 28.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -110.31 148.73 31.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -148.36 96.85 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.63 20.56 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.7 mt -67.07 -59.47 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.538 HD12 ' NE ' ' A' ' 16' ' ' ARG . 31.4 mt -84.1 -8.81 59.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.7 27.0 11.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' NE ' HD12 ' A' ' 14' ' ' LEU . 32.7 ptt180 -114.54 -169.8 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -151.89 119.01 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 16' ' ' ARG . 39.8 mm-40 -90.66 105.89 18.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -111.33 133.95 53.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.562 ' CG ' ' CE2' ' A' ' 67' ' ' TYR . 25.3 m-20 -116.5 142.22 47.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.674 ' HD2' HG23 ' A' ' 3' ' ' ILE . 29.6 p90 -159.08 163.51 36.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.41 ' HB ' ' CD ' ' A' ' 4' ' ' LYS . 20.7 mm -113.95 134.09 57.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.487 HG22 ' CE2' ' A' ' 21' ' ' PHE . 3.0 t -102.85 128.89 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -126.19 150.47 48.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 5.8 p90 -162.83 176.06 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -134.12 60.9 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.55 -144.48 9.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.57 160.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' HD2' ' A' ' 30' ' ' PRO . 1.3 m -80.26 138.81 52.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.41 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 149.91 37.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -89.46 159.04 17.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 19.4 mtm105 -61.66 -41.8 98.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -66.63 -24.33 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -46.94 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.8 t -65.69 -45.29 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.516 ' HG3' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -54.58 -48.85 71.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.0 m-20 -57.82 -36.76 72.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.6 tttp -67.7 -53.41 27.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.558 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.33 -53.46 56.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.545 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.84 -37.98 20.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.69 -37.41 62.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.513 ' C ' HD23 ' A' ' 43' ' ' LEU . 40.5 mtp -67.51 -47.2 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.06 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -90.59 6.21 44.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.1 p30 42.39 39.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -108.31 164.83 13.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.636 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.02 130.12 12.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.545 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -53.98 -53.07 57.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.89 -54.64 4.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' HG2' ' A' ' 46' ' ' PRO . 22.8 mt -62.29 -29.32 70.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.14 137.03 35.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.577 ' C ' HD13 ' A' ' 52' ' ' ILE . 1.9 t -139.51 154.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.577 HD13 ' C ' ' A' ' 51' ' ' VAL . 9.4 mm -110.22 125.25 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -67.12 -57.94 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 177.53 121.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.3 mt -84.14 139.51 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -125.18 111.43 15.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.68 HG23 ' OG ' ' A' ' 64' ' ' SER . 11.6 m -90.39 137.24 32.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -85.67 -178.33 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -102.14 119.87 39.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.94 40.51 6.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 62' ' ' GLN . 1.5 mmm -122.62 1.41 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 61' ' ' MET . 8.8 mm100 36.47 56.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.63 132.21 5.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.68 ' OG ' HG23 ' A' ' 57' ' ' THR . 73.3 m -131.68 138.84 48.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -117.85 144.73 45.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.515 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -161.93 128.42 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' CE2' ' CG ' ' A' ' 20' ' ' ASP . 7.3 m-85 -81.87 132.03 35.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.769 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -110.45 154.01 24.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -119.17 112.91 20.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.75 ' HB3' HD11 ' A' ' 19' ' ' LEU . 8.9 tp -99.25 124.67 44.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.528 ' N ' HD12 ' A' ' 70' ' ' LEU . 31.6 m-85 -111.09 160.08 17.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -82.89 -32.13 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.33 163.23 37.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.28 -38.02 27.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.62 -46.73 77.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.79 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.9 ttp -50.92 -37.41 43.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.962 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -64.05 -62.85 1.36 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -55.36 -33.04 63.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 76' ' ' ARG . 94.1 t -68.52 -52.13 39.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -6.99 43.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -86.56 -1.04 57.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -30.5 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -117.92 28.62 8.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 86' ' ' LEU . 1.5 p -96.43 -154.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.74 ' N ' HG13 ' A' ' 85' ' ' VAL . 1.9 pp -55.3 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.02 159.61 14.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.98 -175.41 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -99.72 49.86 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 66.08 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 51.5 t -76.31 133.21 71.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.4 -114.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.097 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.5 t 59.64 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.012 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -177.93 144.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -174.31 130.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -169.57 156.03 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 117.63 83.78 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 100' ' ' GLU . 3.4 pt-20 -84.15 -147.61 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.75 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 99' ' ' GLU . 0.8 OUTLIER -102.04 169.7 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.52 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.97 134.43 54.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.512 HD12 ' HG2' ' A' ' 38' ' ' LYS . 5.4 mt -122.11 136.36 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 8.5 ptmt -130.6 113.88 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.0 mt -66.05 117.15 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.1 mm -79.87 -70.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.11 155.0 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -125.73 111.98 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -102.99 145.61 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 3.8 tttt -112.01 148.99 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -151.61 96.09 3.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -17.45 19.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.942 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.97 -59.4 5.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 56.2 mt -82.5 -20.68 36.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.2 t-20 79.11 35.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 27.5 ptt180 -126.8 -172.37 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -148.05 116.84 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -88.3 105.94 17.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -111.38 134.36 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' CE2' ' A' ' 67' ' ' TYR . 35.7 m-20 -114.85 141.49 47.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.453 ' HE2' HG11 ' A' ' 35' ' ' VAL . 40.8 p90 -157.06 170.03 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.024 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.678 HD13 ' HB2' ' A' ' 65' ' ' LYS . 26.6 mm -123.36 132.83 70.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 t -102.92 122.89 55.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -122.2 145.32 48.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 12.4 p90 -159.61 172.56 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -132.75 56.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -142.52 6.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.53 159.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -85.43 134.24 40.72 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 148.09 34.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -83.06 172.22 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -70.81 -29.29 65.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.07 -44.03 55.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.11 -57.01 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG11 ' HE2' ' A' ' 21' ' ' PHE . 93.8 t -58.23 -35.05 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.767 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -62.52 -52.44 63.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.506 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.6 m-20 -59.03 -35.16 72.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' HG2' HD12 ' A' ' 3' ' ' ILE . 3.6 tttm -64.54 -52.06 59.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -62.89 -53.09 59.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.41 16.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.61 61.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.464 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -69.48 -47.22 64.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.57 6.0 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 43.57 37.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.525 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.96 165.07 13.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.694 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 143.15 28.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.523 1.801 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -68.17 -49.27 62.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -46.19 -42.09 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' HG2' ' A' ' 46' ' ' PRO . 42.2 mt -77.0 -26.97 54.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -82.6 135.54 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.4 t -136.63 159.12 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.42 HD13 ' HB2' ' A' ' 68' ' ' ALA . 4.8 mm -120.68 125.62 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -66.66 -59.52 3.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 179.86 124.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 mt -85.78 142.17 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -124.95 115.21 20.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.534 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.4 m -83.7 131.54 34.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.03 168.95 9.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.85 106.05 9.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.16 -29.18 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.132 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -149.68 27.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.744 . . . . 0.0 111.039 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 36.13 56.28 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -117.39 124.23 48.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.534 ' OG ' HG23 ' A' ' 57' ' ' THR . 7.2 m -111.79 131.81 55.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.678 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.6 ptpp? -117.32 146.22 43.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -161.41 144.42 9.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.517 ' CE2' ' OD1' ' A' ' 20' ' ' ASP . 8.9 m-85 -94.8 123.94 38.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -100.83 159.39 15.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -124.46 112.93 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.801 ' HB3' HD11 ' A' ' 19' ' ' LEU . 11.5 tp -100.95 123.34 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 72.4 m-85 -110.22 165.25 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.37 -25.53 22.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -155.56 159.05 39.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.97 33.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -49.01 -44.54 41.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.922 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -66.04 -49.15 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.1 ttp -50.77 -39.32 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -63.55 -61.38 2.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.56 -29.67 62.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 76' ' ' ARG . 89.6 t -72.55 -49.95 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.79 -6.9 44.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -92.95 -1.06 57.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.28 -24.61 32.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -116.42 27.53 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.791 HG13 ' N ' ' A' ' 86' ' ' LEU . 2.0 p -92.96 -149.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.791 ' N ' HG13 ' A' ' 85' ' ' VAL . 1.5 pp -62.77 92.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -104.0 160.88 14.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' C ' ' CG ' ' A' ' 89' ' ' ASN . 0.0 OUTLIER -151.61 172.71 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' CG ' ' C ' ' A' ' 88' ' ' ARG . 2.6 m-80 -163.74 51.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.63 131.59 6.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.0 p -54.01 120.2 23.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.93 -129.07 0.11 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.4 t -158.52 -135.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 96' ' ' THR . 1.3 tp10 -171.05 146.23 2.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER 177.94 133.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.76 147.04 7.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 142.06 140.54 3.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -174.94 139.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.245 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.631 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 1.8 tt0 -175.69 129.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.528 0.204 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.25 131.32 53.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.662 HD11 HG13 ' A' ' 35' ' ' VAL . 28.5 mt -113.98 149.05 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.72 116.0 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.88 113.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mm -75.23 -67.81 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.03 160.65 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.48 109.49 10.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.5 ttpp -97.28 145.6 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 12.1 tttt -102.83 139.49 38.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -140.56 82.46 16.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -19.79 17.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -61.28 -63.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.49 -10.97 59.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.23 34.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -126.47 -171.14 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -150.28 124.1 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.47 105.96 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.703 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -112.3 134.59 53.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -117.97 138.89 51.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -154.42 171.62 19.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.649 HD13 ' HB2' ' A' ' 65' ' ' LYS . 14.4 mm -123.71 133.92 67.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 t -104.12 119.56 53.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' CG ' ' HG2' ' A' ' 63' ' ' GLU . 7.5 mttm -113.7 155.36 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 19.3 p90 -173.43 168.31 4.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.89 86.84 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.44 158.97 31.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t 58.29 161.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.2 m -120.79 119.8 29.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.88 25.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 m -83.09 162.22 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.662 ' HG2' HD12 ' A' ' 55' ' ' ILE . 7.4 mtt85 -58.25 -48.69 79.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 13.7 p30 -56.08 -33.21 64.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -71.35 -51.74 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 3' ' ' ILE . 44.6 t -62.52 -41.69 92.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -51.14 65.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 1.6 m-20 -56.28 -33.01 65.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HB3' HD12 ' A' ' 3' ' ' ILE . 3.2 tttt -66.69 -46.74 74.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.489 HD12 HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -69.93 -53.58 17.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' CB ' HD12 ' A' ' 47' ' ' LEU . . . -48.63 -38.03 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.99 -37.96 61.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.474 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -67.58 -47.34 70.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -88.1 4.76 44.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 44.84 38.94 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -111.25 165.1 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.665 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.01 138.48 23.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.548 1.815 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD12 ' CB ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -63.94 -50.9 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -45.17 -42.95 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.665 HD12 ' HG2' ' A' ' 46' ' ' PRO . 23.4 mt -75.08 -28.82 60.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -82.22 138.5 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.5 t -138.97 159.6 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mm -120.28 127.56 75.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -71.1 -54.67 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 178.58 127.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.662 HD12 ' HG2' ' A' ' 32' ' ' ARG . 44.4 mt -93.56 143.37 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -124.67 110.85 14.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.506 ' CG2' ' OH ' ' A' ' 25' ' ' TYR . 25.4 m -96.66 138.74 33.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -108.55 164.53 12.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -117.41 103.53 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.22 -21.91 0.97 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 62' ' ' GLN . 1.4 ptt? -142.37 14.86 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.59 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER 37.6 60.99 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' A' ' 57' ' ' THR . 34.3 mt-10 -118.42 154.37 32.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.476 ' HG ' ' HE1' ' A' ' 25' ' ' TYR . 2.9 m -146.87 121.55 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HB2' HD13 ' A' ' 22' ' ' ILE . 8.1 ptpp? -119.02 143.83 46.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.63 143.54 8.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.48 135.67 33.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 111.024 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -113.26 159.68 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.7 mtmt -124.47 113.06 17.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.703 ' HB3' HD11 ' A' ' 19' ' ' LEU . 12.5 tp -101.05 122.6 43.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 13.2 m-85 -110.96 166.16 11.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.65 -39.8 16.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -135.89 161.76 34.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.58 -37.26 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.28 -46.18 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.867 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -55.66 -50.23 70.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 7.1 ttp -52.28 -36.23 52.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -66.89 -57.94 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -59.86 -35.4 74.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 76' ' ' ARG . 75.3 t -63.76 -47.83 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -6.86 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -3.98 58.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.79 -33.37 52.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.25 29.16 7.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.791 HG13 ' N ' ' A' ' 86' ' ' LEU . 2.1 p -85.07 -149.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.791 ' N ' HG13 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -62.69 94.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.47 163.06 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -105.95 168.6 9.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -148.91 47.96 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -160.99 124.18 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 92' ' ' PRO . 73.6 t -75.77 143.08 74.31 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.713 ' HD2' HG13 ' A' ' 91' ' ' VAL . 18.5 Cg_endo -75.07 -171.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.7 -79.58 1.42 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.5 t 72.25 115.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -177.38 146.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 95' ' ' GLU . 0.6 OUTLIER 178.35 133.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.411 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.07 155.88 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 164.63 142.33 3.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -175.19 139.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -151.68 117.47 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.642 ' SD ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.497 0.189 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -116.4 110.62 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' A' ' 38' ' ' LYS . 26.9 mt -103.33 134.2 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.404 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 4.2 ptmm? -128.63 109.01 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.81 116.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mm -79.28 -68.48 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.12 154.23 40.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.64 112.62 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -99.82 142.05 31.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 16.2 tttt -105.07 138.08 41.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -145.03 82.88 9.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.35 -63.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 12.5 mt -74.09 -19.47 60.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER 81.44 42.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 12.6 ptp180 -140.01 -168.96 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -95.82 107.46 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -114.74 136.14 53.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -118.72 139.25 51.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CE1' ' O ' ' A' ' 66' ' ' GLY . 22.6 p90 -151.82 172.66 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 65' ' ' LYS . 32.5 mm -123.01 131.41 73.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' SER . 4.8 t -102.76 124.69 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -128.09 157.4 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 62' ' ' GLN . 4.9 p90 -169.83 160.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -102.64 60.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.35 166.0 14.82 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 16.3 t 57.99 160.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -120.69 117.52 31.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.48 26.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -82.49 169.24 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.895 ' HG3' HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -62.95 -37.15 85.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' A' ' 34' ' ' ASP . 2.2 p-10 -63.63 -48.98 75.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 67.4 m-20 -57.3 -46.39 83.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.642 HG22 ' SD ' ' A' ' 1' ' ' MET . 73.3 t -66.91 -39.09 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.724 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -59.47 -52.88 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.318 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.519 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.4 m-20 -54.03 -35.18 61.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.599 ' HB3' HD12 ' A' ' 3' ' ' ILE . 4.2 tttp -67.77 -51.97 42.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.541 HD23 HD11 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -60.92 -53.52 56.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 45' ' ' ALA . . . -49.18 -37.07 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.12 -37.75 61.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.499 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -67.37 -47.16 71.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.46 6.04 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 44.68 39.26 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -113.43 164.81 14.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.638 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 143.38 29.03 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.461 1.769 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.724 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -66.68 -50.74 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.31 -44.86 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.2 mt -74.01 -27.23 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.41 138.33 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.0 t -139.26 156.97 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 mm -117.5 127.23 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -68.06 -66.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.54 123.18 0.54 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.895 HD12 ' HG3' ' A' ' 32' ' ' ARG . 23.8 mt -90.04 143.19 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -124.83 115.6 20.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.727 HG23 ' OG ' ' A' ' 64' ' ' SER . 5.2 m -95.41 136.04 36.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -109.61 169.45 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.2 105.69 10.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 151.8 -30.39 0.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' GLN . 11.7 ptt? -136.46 15.01 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.546 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER 36.57 45.2 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -111.85 125.44 54.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.727 ' OG ' HG23 ' A' ' 57' ' ' THR . 18.9 m -113.26 131.04 56.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.607 ' HB2' HD13 ' A' ' 22' ' ' ILE . 3.7 ptpp? -118.51 141.41 48.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 21' ' ' PHE . . . -163.23 143.35 8.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.549 1.155 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -87.6 145.52 26.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -122.79 154.49 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -119.43 114.03 21.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.1 tp -100.16 124.29 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 69.2 m-85 -115.57 158.7 22.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.06 -32.51 21.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -136.17 156.45 48.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -81.55 -31.66 32.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -57.59 -53.42 58.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.888 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -55.32 -45.35 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.2 ttp -50.95 -36.31 38.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -55.9 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.162 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -31.11 63.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 76' ' ' ARG . 98.0 t -72.18 -48.45 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -6.8 42.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -1.98 47.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -87.33 -31.84 19.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.53 28.09 9.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 86' ' ' LEU . 2.4 p -98.29 -162.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.744 ' H ' HG22 ' A' ' 85' ' ' VAL . 1.8 pp -40.3 97.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' VAL . 10.6 pttm -112.08 164.32 13.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -117.17 164.37 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -150.04 52.09 0.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -178.09 123.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.5 OUTLIER -50.62 132.16 27.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.2 Cg_endo -75.06 130.77 13.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.57 -117.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.057 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.0 t 168.43 119.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.974 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.46 -167.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.0 p -130.76 -143.5 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -175.31 109.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.13 152.2 7.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.13 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -142.2 -151.18 0.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.656 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 2.3 tt0 -177.34 148.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.499 0.19 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.14 131.68 53.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.614 HG23 ' HD2' ' A' ' 21' ' ' PHE . 72.1 mt -117.42 145.46 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.436 ' CD ' ' HB ' ' A' ' 22' ' ' ILE . 2.2 pttt -133.3 112.56 11.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 mt -65.3 110.12 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.456 HG22 ' HD2' ' A' ' 7' ' ' LYS . 3.4 mm -72.22 -69.15 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.456 ' HD2' HG22 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -145.2 159.68 42.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -127.82 111.81 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 2.0 tttt -108.63 144.11 36.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 8.2 tttt -112.81 148.07 35.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -139.46 95.14 9.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -15.9 20.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.559 1.821 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.9 mt -68.29 -63.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.625 HD13 ' NH2' ' A' ' 16' ' ' ARG . 83.4 mt -78.01 -15.0 59.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 72.76 45.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.625 ' NH2' HD13 ' A' ' 14' ' ' LEU . 11.9 ptp180 -136.56 -172.36 3.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -145.67 119.72 9.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -91.6 115.34 27.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -120.55 134.43 55.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 2.1 m-20 -118.37 139.29 51.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.614 ' HD2' HG23 ' A' ' 3' ' ' ILE . 35.5 p90 -156.5 169.91 23.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.717 HD13 ' HB2' ' A' ' 65' ' ' LYS . 32.1 mm -120.77 134.25 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.0 t -102.81 121.47 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -117.88 151.68 36.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 6.9 p90 -163.21 171.8 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -130.96 57.88 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.72 -142.1 8.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.59 139.19 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.77 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -74.56 141.02 75.79 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 29' ' ' THR . 18.4 Cg_endo -75.01 148.53 35.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.6 m -90.33 166.86 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.59 -43.06 95.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -66.76 -25.8 66.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.92 -46.42 30.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -68.97 -41.65 81.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' NE ' HG12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -57.67 -53.95 52.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 3.8 m-20 -56.78 -38.77 72.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -63.45 -53.17 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD23 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -60.29 -53.9 52.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.45 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.63 -36.4 60.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 39' ' ' LEU . 80.6 mtp -68.27 -46.04 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.62 HD11 HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -92.88 7.69 42.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 1.4 p30 41.82 37.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -106.86 164.57 14.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.678 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.5 Cg_endo -75.03 143.46 29.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -68.58 -50.11 54.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.5 pm0 -45.3 -37.19 4.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.678 HD12 ' HG2' ' A' ' 46' ' ' PRO . 32.9 mt -83.52 -29.18 28.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -82.42 125.2 30.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG21 ' HE2' ' A' ' 71' ' ' TYR . 3.4 t -129.74 161.62 38.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.416 HD13 ' HB2' ' A' ' 68' ' ' ALA . 13.0 mm -118.9 130.01 74.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -72.22 -62.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.46 124.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 32.5 mt -90.78 144.11 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -125.05 115.48 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.924 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.8 m -93.35 132.71 37.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -75.68 -176.39 3.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -106.17 107.74 18.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.55 40.28 77.64 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -123.33 2.87 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' MET . 7.7 mm100 37.71 57.72 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.33 124.9 4.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.924 ' OG ' HG23 ' A' ' 57' ' ' THR . 50.9 m -127.01 132.77 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.717 ' HB2' HD13 ' A' ' 22' ' ' ILE . 6.4 ptpp? -117.52 144.84 44.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.02 140.07 6.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.505 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -88.53 132.56 34.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 111.015 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HB2' HD13 ' A' ' 52' ' ' ILE . . . -112.52 154.14 26.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -119.87 112.85 19.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.74 ' HB3' HD11 ' A' ' 19' ' ' LEU . 15.7 tp -99.36 123.39 43.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CD2' ' HB2' ' A' ' 77' ' ' MET . 28.9 m-85 -106.82 163.75 12.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -90.21 -36.61 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -131.76 163.91 27.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.37 -42.22 17.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.09 -51.05 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 1.037 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -54.76 -53.01 60.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.524 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.7 tmm? -49.05 -51.99 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -55.22 -52.71 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -62.31 -31.36 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 76' ' ' ARG . 84.0 t -68.66 -48.23 72.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.05 -6.78 47.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.22 -4.73 56.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -31.1 21.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.68 28.37 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.707 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.9 p -97.83 -160.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.797 ' O ' HD12 ' A' ' 86' ' ' LEU . 3.3 pp -43.65 98.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -110.75 163.77 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -129.65 171.9 12.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -149.3 49.07 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.04 120.67 3.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 2.7 p -43.96 136.59 3.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.2 Cg_endo -75.02 -166.52 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -63.45 -123.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.2 t -147.73 -137.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -159.07 158.69 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 t -178.84 131.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.456 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.41 67.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 53.9 -173.1 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -174.11 139.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.2 OUTLIER -162.0 129.44 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.504 0.193 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -119.02 124.24 46.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.494 HG21 HD12 ' A' ' 39' ' ' LEU . 5.2 mt -108.2 144.37 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -137.28 112.55 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.8 mt -65.72 113.82 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ASP . 4.0 mm -76.49 -70.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -148.52 153.61 38.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' OD2' ' NH2' ' A' ' 17' ' ' ARG . 2.5 t0 -123.66 114.14 19.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 4.1 tttt -103.61 145.91 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -109.59 148.55 31.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.413 ' ND2' HD12 ' A' ' 14' ' ' LEU . 40.8 t-20 -151.69 95.84 3.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.77 20.54 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.6 mt -65.51 -63.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.765 ' O ' HG21 ' A' ' 80' ' ' VAL . 23.5 mt -78.63 -5.85 54.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.9 32.58 15.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.8 ptt180 -124.68 -174.58 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -146.09 119.92 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.77 109.7 20.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -114.62 133.65 55.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.549 ' CG ' ' CZ ' ' A' ' 67' ' ' TYR . 8.1 m-20 -112.98 138.25 50.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -153.15 172.36 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' HB ' ' CG ' ' A' ' 4' ' ' LYS . 11.8 mm -129.95 128.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 18.9 t -102.42 114.95 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' CG ' ' HB3' ' A' ' 63' ' ' GLU . 5.7 mttm -113.47 147.4 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 63' ' ' GLU . 6.1 p90 -158.64 160.46 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -102.92 68.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.8 165.18 21.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 t 57.76 160.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -120.2 119.59 30.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.38 28.94 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.6 m -83.76 174.82 10.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.845 ' HG3' HD12 ' A' ' 55' ' ' ILE . 8.7 mpt_? -68.55 -41.2 80.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -61.16 -40.56 94.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -50.42 64.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -62.24 -38.47 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.688 ' HB3' HD11 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.39 -50.28 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' N ' HD11 ' A' ' 47' ' ' LEU . 3.6 m-20 -54.5 -41.57 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 2.5 tttp -61.27 -53.17 60.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.494 HD12 HG21 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -60.6 -53.92 51.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 47' ' ' LEU . . . -49.45 -37.63 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.367 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.15 -37.64 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.525 ' C ' HD23 ' A' ' 43' ' ' LEU . 61.9 mtp -68.07 -47.42 68.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -90.04 5.37 46.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 43.89 37.93 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -109.37 163.36 17.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 129.82 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -53.25 -52.13 59.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.64 -53.21 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HG2' ' A' ' 46' ' ' PRO . 21.0 mt -64.44 -28.14 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -82.36 138.38 34.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 2.0 t -139.38 156.74 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mm -117.19 122.16 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -65.46 -53.33 44.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 175.49 127.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.845 HD12 ' HG3' ' A' ' 32' ' ' ARG . 15.3 mt -90.11 144.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 65' ' ' LYS . 1.8 mtmt -125.09 113.44 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.797 HG23 ' OG ' ' A' ' 64' ' ' SER . 2.5 m -85.68 131.2 34.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -83.98 -171.72 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -113.85 132.25 55.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.35 42.64 7.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.6 mmm -121.32 -6.89 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 45.1 49.45 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -165.07 171.96 13.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.312 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.797 ' OG ' HG23 ' A' ' 57' ' ' THR . 58.6 m -153.07 146.47 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -119.53 163.58 17.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.66 139.91 4.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.549 ' CZ ' ' CG ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -89.35 130.22 35.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.996 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -109.05 154.45 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -120.5 112.72 19.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.763 ' HB3' HD11 ' A' ' 19' ' ' LEU . 7.1 tp -98.48 126.02 43.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' N ' HD12 ' A' ' 70' ' ' LEU . 46.9 m-85 -112.77 154.61 25.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -76.88 -34.67 57.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.87 164.77 29.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.51 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -81.77 -35.18 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.62 -51.97 67.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.958 ' O ' HG23 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.07 -47.4 78.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.431 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 25.3 ttp -50.53 -38.94 47.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 81' ' ' GLU . 9.5 mtpt -75.28 -59.22 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' HA ' ' CG ' ' A' ' 82' ' ' GLN . 33.5 mt-30 -45.71 -28.93 1.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 76' ' ' ARG . 33.2 t -85.27 -38.37 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 78' ' ' LYS . 5.1 mt-10 -77.23 -6.53 53.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -117.93 -0.43 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -70.42 -29.69 66.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.57 25.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 86' ' ' LEU . 2.2 t -116.12 -137.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.482 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -60.43 83.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.792 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -88.04 -167.6 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -55.04 172.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' ARG . 2.0 m-80 40.02 39.03 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.792 ' HB2' ' O ' ' A' ' 87' ' ' LYS . . . -83.73 134.65 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.6 p -55.36 115.82 10.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 158.24 42.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 94' ' ' SER . . . -70.6 -126.79 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 93' ' ' GLY . 3.4 t 162.76 126.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.66 160.6 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -178.08 131.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -175.13 96.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.58 84.92 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -148.03 -149.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 0.727 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 7.4 tp10 56.85 109.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG3' ' CG1' ' A' ' 23' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.529 0.204 . . . . 0.0 111.019 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.06 130.91 56.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.503 HD12 ' HB3' ' A' ' 38' ' ' LYS . 6.8 mt -114.59 143.21 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' CG ' ' HB ' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -134.39 109.61 8.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 mt -60.57 112.95 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' ASP . 10.4 mm -74.96 -74.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.66 160.55 38.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -127.9 111.61 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 1.3 tttp -111.13 143.28 42.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 4.8 tttt -113.73 147.35 38.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -141.59 93.77 7.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -15.42 20.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -63.39 -60.02 3.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 82.3 mt -82.39 -20.11 37.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 2.3 t-20 82.03 33.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' CZ ' HD12 ' A' ' 14' ' ' LEU . 23.7 ptt180 -124.47 -173.98 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.71 124.57 14.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -95.71 110.41 22.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -118.34 134.76 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.513 ' OD1' ' CD2' ' A' ' 67' ' ' TYR . 7.3 m-20 -117.2 140.23 49.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -154.84 161.09 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.66 HD13 ' HB2' ' A' ' 65' ' ' LYS . 31.2 mm -113.7 134.41 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' A' ' 1' ' ' MET . 10.8 t -102.55 125.68 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -126.46 144.21 50.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 62' ' ' GLN . 6.9 p90 -161.99 175.31 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -129.1 85.18 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 137.72 -141.31 12.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 m -51.51 159.43 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.783 . . . . 0.0 110.013 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.736 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -84.45 145.84 46.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.736 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.01 161.37 38.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 m -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -45.83 72.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -61.28 -39.89 92.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -46.67 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.85 -37.4 77.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -64.46 -53.26 51.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 47' ' ' LEU . 5.8 m-20 -56.41 -37.64 70.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -62.5 -51.65 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.579 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.81 -53.08 60.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.78 -36.75 17.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.42 61.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.481 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -68.32 -47.21 68.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.782 HD23 ' N ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -89.23 5.82 43.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 43.43 38.1 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -110.93 166.64 10.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.618 ' HG2' HD12 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 150.7 38.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -74.07 -49.21 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -46.84 -39.24 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.618 HD12 ' HG2' ' A' ' 46' ' ' PRO . 29.8 mt -79.86 -27.54 40.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 39' ' ' LEU . 2.5 tp -82.74 135.79 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -138.71 161.47 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.424 ' CG1' ' HG3' ' A' ' 36' ' ' ARG . 8.3 mm -120.33 125.95 74.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -69.84 -58.5 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.87 126.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -92.01 142.69 12.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.02 119.26 28.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 m -95.3 138.74 32.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -110.56 167.06 10.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.14 103.61 9.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.01 -37.12 0.46 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' GLN . 0.8 OUTLIER -139.74 23.98 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 111.02 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.502 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER 36.45 53.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' CG ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -113.14 127.21 56.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m -116.14 131.01 57.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.66 ' HB2' HD13 ' A' ' 22' ' ' ILE . 5.5 ptpp? -120.69 140.08 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 138.88 5.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' CD2' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -84.42 138.29 32.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.993 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -116.61 154.45 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -119.97 114.71 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.689 ' HB3' HD11 ' A' ' 19' ' ' LEU . 10.9 tp -100.01 123.69 44.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 77' ' ' MET . 23.7 m-85 -109.15 151.14 26.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -88.62 -31.04 18.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.72 135.14 34.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.586 ' HB2' HD21 ' A' ' 49' ' ' LEU . . . -65.11 -39.88 93.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -49.68 -50.97 41.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 1.064 ' O ' HG23 ' A' ' 80' ' ' VAL . 2.1 mmt180 -56.36 -53.47 57.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.513 ' HG3' ' CE2' ' A' ' 71' ' ' TYR . 3.2 tmm? -48.95 -53.56 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -55.56 -51.89 65.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -59.69 -40.93 89.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.064 HG23 ' O ' ' A' ' 76' ' ' ARG . 63.2 t -56.62 -51.27 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.29 -6.97 55.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -0.74 28.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -94.03 -29.86 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.73 27.47 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 86' ' ' LEU . 4.2 t -108.24 -129.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.508 ' H ' HG12 ' A' ' 85' ' ' VAL . 4.3 mt -38.43 100.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' VAL . 8.7 pttt -133.08 148.31 52.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.61 -164.2 1.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 7.3 m-80 -107.11 53.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.362 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 89' ' ' ASN . . . 67.41 125.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.417 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 3.4 t -98.35 134.94 21.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 91' ' ' VAL . 18.2 Cg_endo -75.06 -164.87 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.797 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.76 -130.44 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 t 168.19 125.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.027 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -166.36 134.84 2.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.97 12.64 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.29 171.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.18 152.17 5.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.89 -152.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.58 95.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 179.997 . . . . . . . . 0 0 . 1 stop_ save_