data_1wln_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 1wln _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 ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 19.7 mt -100.16 155.02 36.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -74.97 137.75 22.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CD2' HD21 ' A' ' 30' ' ' LEU . 37.3 p90 -131.53 163.23 28.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.7 mt -115.34 109.47 17.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 7.2 p -92.68 102.73 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 25.4 tt0 -45.59 133.27 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 11.6 mt -118.34 163.68 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -51.85 174.27 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.39 -11.13 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 41.11 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.977 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.07 153.3 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.559 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.97 139.22 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -131.82 97.81 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -70.07 110.53 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' A' ' 50' ' ' ILE . 32.0 mt -73.46 88.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' LEU . 47.7 mt-30 -71.95 158.24 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.8 mt -40.09 157.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.2 m 85.59 163.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 12.4 p -71.08 138.57 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -121.3 103.98 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 23.3 mp0 -72.78 139.55 47.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' CG2' HD22 ' A' ' 64' ' ' LEU . 16.5 t -114.3 168.12 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.05 -151.51 18.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -104.52 -17.65 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.367 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.94 157.68 26.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.425 HD13 ' CD2' ' A' ' 33' ' ' LEU . 15.8 mt -95.3 119.61 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -112.3 98.87 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -103.34 143.66 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.85 112.25 13.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.36 159.84 30.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.02 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 116.11 15.19 7.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -99.08 152.8 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 1.6 mm-40 -112.43 175.11 1.99 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.05 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 1.7 t-160 -107.67 78.69 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.476 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 2.4 t60 -69.64 -70.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.78 168.62 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.453 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 2.2 m-20 -127.12 121.82 32.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -88.09 115.36 25.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.7 m -115.44 118.31 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -92.61 106.6 18.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 mmt -118.76 97.46 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.473 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.3 OUTLIER 67.55 68.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.14 27.11 2.46 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.436 1.085 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 68' ' ' ASP . 46.3 t -130.62 134.32 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 72' ' ' THR . 21.6 t -124.89 139.09 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 94' ' ' MET . 22.1 p -133.51 125.04 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.388 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.7 p -70.27 124.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -122.92 105.29 35.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -78.91 -22.77 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -127.55 132.95 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -35.97 78.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.32 -40.18 89.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.476 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . . . -63.61 97.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 12.7 mp0 -67.35 120.25 13.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.7 m -128.26 110.18 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 81' ' ' GLU . 28.7 m-85 -113.46 118.46 34.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 57.3 t -92.27 91.72 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER 80.67 37.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.67 18.72 77.02 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -127.58 115.86 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.59 154.12 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 pt -120.65 166.1 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 m -135.44 10.33 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -174.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 m -51.46 107.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -113.8 118.69 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.459 ' HA ' ' CG2' ' A' ' 72' ' ' THR . 37.1 ttm -52.92 139.48 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' HA ' ' CE ' ' A' ' 99' ' ' MET . 76.5 mt -107.31 143.73 35.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -129.28 154.57 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -62.18 125.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.1 -34.43 5.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 95' ' ' LEU . 4.3 mtm -55.57 135.09 51.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.761 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.07 160.93 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.583 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -138.87 107.68 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.462 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 14.3 tt0 -96.01 116.6 29.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CZ ' HD21 ' A' ' 101' ' ' LEU . 76.1 m-85 -109.19 106.45 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 69.0 35.3 78.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.462 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 18.8 p 37.7 56.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.37 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.6 p -166.5 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -100.96 93.96 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.5 t -98.02 135.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' LEU . 17.6 m-85 -135.38 154.78 51.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -118.4 119.47 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.6 t80 -86.64 133.64 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.1 t -132.37 143.0 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -113.18 104.89 55.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.01 -13.15 21.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.502 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 31.4 mt -95.85 155.04 38.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.96 29.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.615 ' CD2' HD12 ' A' ' 30' ' ' LEU . 23.6 p90 -135.45 161.79 34.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 11.7 mt -117.95 108.63 15.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 9.1 p -92.89 105.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 22.8 tt0 -48.19 132.12 16.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 10.6 mt -118.44 164.07 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.79 171.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.42 13.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.2 -6.34 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.26 38.45 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 152.11 46.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -130.92 150.5 52.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -148.35 102.05 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.34 112.11 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -73.48 88.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 51.1 mt-30 -72.57 159.28 34.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.5 mt -40.17 156.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.4 m 85.83 162.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 12.7 p -67.63 147.99 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 m -131.92 103.13 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 49.5 mp0 -73.14 136.53 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' CG2' ' CD2' ' A' ' 64' ' ' LEU . 54.0 t -113.14 168.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.4 -146.63 17.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.3 p -112.79 8.28 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.33 175.24 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.5 mt -74.62 113.57 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.42 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.54 HD22 ' CZ ' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -127.02 167.36 16.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -145.62 122.22 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.59 158.0 29.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.78 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 129.85 -4.14 6.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.0 mm -79.45 152.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.49 175.89 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.02 -53.83 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.425 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 1.2 t-160 -104.82 77.63 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.56 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.27 -71.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.2 p -148.74 165.81 30.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.315 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -122.76 115.98 22.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.431 ' CD2' ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -85.28 113.1 21.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 89.0 m -114.9 122.05 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -94.57 106.68 18.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -118.97 98.83 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 t70 67.09 61.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.79 23.87 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -125.68 136.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 72' ' ' THR . 46.0 t -125.92 136.94 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 71' ' ' VAL . 31.5 p -131.37 120.28 22.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.48 124.83 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.0 m -127.98 108.21 20.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -73.84 -22.63 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.0 m -129.87 140.05 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.7 mtp -70.78 -44.25 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -36.19 25.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.36 105.81 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 8.4 mp0 -79.37 114.7 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -120.93 105.55 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 88' ' ' ARG . 48.8 m-85 -106.05 115.46 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 92.7 t -87.2 91.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER 74.98 31.46 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.01 46.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -127.9 111.09 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -71.47 132.99 45.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.8 pt -98.24 169.0 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.82 10.62 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -177.36 -175.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 48.9 m -55.39 102.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -109.84 131.66 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.448 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 150.04 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.7 mt -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -133.25 145.8 50.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 p -52.87 128.3 26.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.23 -38.72 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.36 137.15 29.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -91.23 155.71 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -133.52 108.69 8.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -102.98 106.53 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 101' ' ' LEU . 12.9 m-30 -92.31 97.03 10.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.92 -95.87 1.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.26 57.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -179.1 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -101.25 119.52 38.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.583 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.1 t -123.92 147.09 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.54 ' CZ ' HD22 ' A' ' 52' ' ' LEU . 24.1 m-85 -139.45 150.68 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.27 118.69 34.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.496 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 2.7 t80 -86.87 135.92 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 23.6 t -134.42 147.59 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -114.77 103.2 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.502 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -8.24 19.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 90.2 mt -121.36 150.76 55.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.04 137.86 22.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD2' HD22 ' A' ' 30' ' ' LEU . 49.6 p90 -134.44 168.42 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 16.8 mt -120.18 109.0 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 8.0 p -92.59 102.62 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 22.0 tt0 -44.51 135.4 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 11.1 mt -118.96 164.77 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.29 172.34 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.72 -3.38 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.58 38.96 11.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.972 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 152.53 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.56 HD22 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.37 161.28 31.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 44.1 m-85 -155.38 102.01 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -69.58 117.77 11.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.31 79.9 9.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -54.31 166.96 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -73.56 103.87 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.515 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 96.9 p 172.44 -134.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.47 104.65 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m -98.64 101.63 13.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -83.47 125.17 31.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t -101.85 151.25 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.38 -139.56 9.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.9 p -118.91 8.22 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 0.809 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -105.47 173.05 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.1 mt -101.57 117.58 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -112.98 98.83 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.3 mt -103.17 147.07 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -129.48 117.29 20.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.12 162.85 33.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 102.65 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 114.86 20.53 5.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.21 152.73 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 2.0 mm-40 -115.75 177.59 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -98.33 75.37 2.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 2.5 t60 -63.24 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.9 p -154.91 171.08 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -124.88 112.24 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.14 95.17 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.5 m -100.22 147.77 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -114.05 107.4 15.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.25 98.44 6.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.5 OUTLIER 65.97 75.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.48 30.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' ASP . 51.1 t -136.25 131.11 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 72' ' ' THR . 7.7 t -120.75 138.8 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.406 ' N ' HG13 ' A' ' 71' ' ' VAL . 21.5 p -133.74 120.77 20.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.5 p -66.75 123.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.8 m -121.7 104.85 38.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.02 115.96 4.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -90.28 -1.71 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -131.72 131.53 43.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mtt -76.3 -23.99 54.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.33 -30.44 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . . . -66.93 102.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.557 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.1 mt-10 -74.83 117.71 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.427 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 2.1 m -127.63 105.57 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 23.4 m-85 -107.71 116.57 32.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.3 t -87.72 91.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.9 t0 79.76 26.75 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.21 7.44 62.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.86 114.94 26.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -69.09 152.12 45.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 75' ' ' PRO . 6.4 pt -120.69 153.1 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 32.1 t -121.96 -4.22 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 90' ' ' SER . 36.7 mt-10 -158.98 -173.6 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.8 m -58.92 105.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -110.48 136.36 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 15.3 ttm -65.0 153.7 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.402 ' HA ' ' CE ' ' A' ' 99' ' ' MET . 81.3 mt -119.21 146.16 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -134.04 132.59 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -42.45 132.36 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.83 -31.01 9.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 95' ' ' LEU . 1.4 mtm -59.16 138.6 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 158.05 17.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -134.25 107.02 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.467 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 13.6 tt0 -101.37 115.49 30.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 96.1 m-85 -109.9 101.2 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.68 35.44 51.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.467 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 20.6 p 37.74 52.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t -156.44 -54.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -93.12 98.72 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.7 t -101.85 133.57 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 17.7 m-85 -136.56 156.67 48.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.1 121.26 40.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 3.5 t80 -89.69 136.49 33.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 25.1 t -134.86 150.79 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -119.94 102.5 46.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -18.64 18.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -68.36 153.0 96.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 134.98 18.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD1' HD23 ' A' ' 30' ' ' LEU . 50.6 p90 -125.32 168.91 12.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 27.5 mt -119.35 112.23 19.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 10.0 p -96.37 105.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 23.8 tt0 -48.47 138.4 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 13.4 mt -121.64 165.43 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.88 174.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.783 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -14.55 12.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.51 6.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.014 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.52 153.64 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.546 HD23 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -122.63 132.2 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -119.06 77.71 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.454 ' NH1' ' CD2' ' A' ' 30' ' ' LEU . 1.7 mmt-85 -51.54 128.92 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' GLN . 18.3 mt -90.91 62.03 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 25.7 mt-30 -37.04 143.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.8 mt -39.81 158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 84.62 164.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 11.5 p -68.9 136.71 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.6 m -120.01 108.71 14.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 119.82 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.467 ' CG2' HD21 ' A' ' 64' ' ' LEU . 58.0 t -96.08 167.68 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . 123.05 -154.93 17.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 52' ' ' LEU . 80.9 p -105.69 -7.28 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.78 148.87 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.3 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.0 mt -114.57 119.19 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -109.65 112.66 24.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 42' ' ' THR . 75.6 mt -115.29 140.12 49.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.423 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 7.7 m-85 -124.97 112.67 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.63 159.75 28.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.12 8.56 9.4 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.5 mm -84.72 152.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -111.67 176.59 1.45 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -53.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -106.5 78.84 1.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 2.3 t60 -67.64 -68.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.8 p -153.47 174.12 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -130.05 117.67 20.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -84.84 111.37 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.4 m -105.55 112.91 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' HD2' ' A' ' 12' ' ' PRO . 52.0 t-20 -90.91 107.24 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mmt -117.95 114.15 22.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 54.81 25.61 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.42 -24.59 31.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.44 138.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 0.781 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.47 HG21 ' CG ' ' A' ' 12' ' ' PRO . 24.9 t -123.26 144.74 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.9 p -137.67 120.81 16.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.8 p -73.19 126.21 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.0 m -128.77 107.51 18.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.99 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 -22.84 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -129.58 142.12 50.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -46.49 56.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.45 -34.87 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.537 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . . . -71.45 104.83 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.04 122.47 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.233 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -127.2 100.81 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 88' ' ' ARG . 37.7 m-85 -98.65 115.49 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 89.2 t -86.76 91.55 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.7 t0 79.21 25.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.34 22.86 28.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -132.11 110.87 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 ttm180 -69.51 144.03 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.412 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 13.4 pt -108.33 168.98 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -136.27 10.7 3.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -176.97 -178.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.8 m -51.14 104.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.437 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -112.9 125.01 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.446 ' CE ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.9 146.28 42.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.446 ' O ' ' CE ' ' A' ' 94' ' ' MET . 83.2 mt -112.95 144.39 42.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -127.52 143.87 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 p -51.28 128.3 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.26 -34.43 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.82 140.47 30.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.0 147.96 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.565 HD22 ' CZ ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -122.52 107.15 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.45 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.4 tt0 -102.44 116.4 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CZ ' HD22 ' A' ' 101' ' ' LEU . 97.7 m-85 -107.9 106.81 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.23 37.23 94.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.45 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 1.7 t 37.99 53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.8 m -152.14 -47.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.423 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 12.0 m-70 -103.46 113.36 26.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.63 134.27 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 29.1 m-85 -142.25 142.03 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -104.7 111.92 24.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.7 t80 -80.04 132.7 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.7 t -132.47 153.54 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.97 101.45 45.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -9.57 20.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 1.0 OUTLIER -129.96 158.11 74.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.3 Cg_endo -74.97 133.99 17.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.583 ' CD1' HD21 ' A' ' 30' ' ' LEU . 51.6 p90 -130.06 164.54 24.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD22 ' CA ' ' A' ' 111' ' ' PHE . 11.8 mt -109.65 146.24 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 110' ' ' LYS . 13.5 p -133.03 107.49 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 21.8 tt0 -50.91 135.2 24.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -120.66 164.98 15.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -56.08 173.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.99 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 -13.25 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.09 5.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.24 155.22 40.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.2 131.5 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE2' HD23 ' A' ' 52' ' ' LEU . 2.8 m-85 -119.84 83.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.486 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.54 136.0 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' GLN . 12.9 mt -95.11 57.83 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 28.0 mt-30 -36.7 144.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -39.93 158.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 85.85 163.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 12.4 p -67.56 127.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -111.29 109.25 19.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' OE1' ' CD2' ' A' ' 60' ' ' HIS . 2.4 mt-10 -71.25 132.35 44.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.456 HG11 ' CG2' ' A' ' 50' ' ' ILE . 61.0 t -110.57 155.51 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.76 -157.0 21.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 52' ' ' LEU . 66.2 p -105.06 20.87 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.6 169.62 8.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 tttm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' HG11 ' A' ' 40' ' ' VAL . 29.0 mt -100.56 115.26 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.0 105.28 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.556 HD23 ' CE2' ' A' ' 31' ' ' TYR . 48.7 mt -108.46 155.58 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -140.14 116.69 10.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.79 160.52 31.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.01 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 122.2 8.09 7.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.2 mm -88.87 152.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 2.2 mm-40 -112.67 174.14 2.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.6 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CE1' ' CB ' ' A' ' 76' ' ' ARG . 18.4 t-160 -103.76 77.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 80' ' ' ALA . 2.6 t60 -69.41 -68.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.614 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.4 p -154.36 173.05 16.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.5 OUTLIER -131.04 115.51 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -84.7 109.11 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 84.9 m -105.37 114.56 28.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -89.01 105.89 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.432 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 4.3 mmt -119.47 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.474 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.31 71.43 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.44 28.05 1.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 68' ' ' ASP . 48.9 t -132.5 139.76 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.8 t -130.23 145.8 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.415 ' CG2' ' HG2' ' A' ' 94' ' ' MET . 20.3 p -136.9 119.69 16.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.7 p -67.34 125.91 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.1 m -127.85 104.01 21.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.02 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 60' ' ' HIS . 23.7 mmm-85 -113.51 23.36 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -129.86 127.92 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.414 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -82.7 60.46 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.2 m-20 171.24 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.478 ' HB3' ' CG ' ' A' ' 61' ' ' HIS . . . -60.53 103.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 10.4 mm-40 -77.32 125.78 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -128.5 107.66 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 51.2 m-85 -108.68 113.61 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 84.1 t -89.68 91.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.5 t0 78.94 28.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.64 54.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -125.48 113.12 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 7.7 ttt-85 -71.84 131.31 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.439 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 6.9 pt -94.15 165.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -134.15 9.34 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -178.94 -175.11 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.9 m -51.19 103.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -112.94 117.02 30.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.415 ' HG2' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.15 145.64 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.7 mt -111.96 146.44 37.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -131.91 146.25 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 p -54.72 127.24 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.09 -28.37 13.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.45 141.58 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -89.03 154.45 20.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.571 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -129.16 107.1 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' A' ' 83' ' ' TYR . 26.3 tt0 -96.1 131.43 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CZ ' HD23 ' A' ' 101' ' ' LEU . 90.2 m-85 -129.01 85.78 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 80.29 40.53 13.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 105' ' ' THR . 3.6 t 35.9 41.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 -51.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -97.15 103.52 15.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.5 t -110.99 126.39 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 14.6 m-85 -134.98 142.96 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -101.62 120.13 39.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.9 t80 -81.84 138.75 35.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.423 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 25.4 t -132.45 150.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -124.0 104.0 33.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -24.42 12.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 19.5 mt -102.69 154.89 37.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.472 ' CG ' HG21 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.03 139.26 23.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' HD23 ' A' ' 30' ' ' LEU . 48.7 p90 -136.11 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.6 mt -117.9 109.74 16.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 9.3 p -92.57 101.86 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.8 tt0 -42.86 136.22 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 9.5 mt -117.63 165.43 13.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 171.97 1.92 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 0.24 9.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.16 2.59 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.65 46.34 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.023 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.48 152.17 46.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.549 HD23 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.88 146.23 52.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -136.76 96.75 3.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -69.29 116.65 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -81.89 91.47 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 26.7 mt-30 -71.63 154.16 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.1 mt -39.77 157.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 86.01 166.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 63' ' ' ASP . 10.5 p -71.87 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -120.39 104.54 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 10.9 mp0 -71.1 145.52 49.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' CYS . 24.6 t -120.77 168.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.95 -142.84 13.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.3 p -116.58 9.53 14.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.67 167.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 31.2 mt -94.48 124.12 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.84 104.69 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' PHE . 32.6 mt -107.68 162.73 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 9.0 m-85 -146.01 114.73 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.05 160.8 33.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.94 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.437 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 116.16 14.59 7.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -97.95 152.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.493 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.9 mm-40 -115.86 177.85 1.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 5.1 t-160 -101.96 77.25 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.61 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.3 t60 -65.54 -69.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.598 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 40' ' ' VAL . 15.5 p -154.2 176.54 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.473 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -131.53 125.32 32.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -91.87 116.04 28.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.6 m -110.83 114.09 27.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -92.19 120.51 32.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.568 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -118.62 95.12 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.5 7.65 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.14 -28.67 4.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 67' ' ' MET . 14.8 p -72.93 131.84 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.472 HG21 ' CG ' ' A' ' 12' ' ' PRO . 42.4 t -117.31 140.53 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.5 p -134.6 121.12 20.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.441 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.52 123.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.8 m -122.97 105.71 34.57 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 129.82 12.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -125.62 29.55 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.18 132.14 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.75 61.71 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' MET . 8.4 m-20 169.42 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.48 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -61.98 115.87 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mm-40 -89.78 127.9 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.6 m -128.2 102.42 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.623 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 70.1 m-85 -107.04 112.62 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 76.0 t -91.53 91.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 9.8 t0 82.91 33.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.85 18.62 69.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -127.31 112.48 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -66.51 152.76 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.405 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 10.4 pt -119.37 153.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.54 -5.89 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -156.93 -174.15 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.4 m -56.05 104.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.8 m -109.57 127.32 54.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.2 ttp -60.78 156.9 16.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.5 mt -121.41 146.03 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -129.53 147.42 51.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -57.17 125.23 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.73 -36.69 4.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.59 146.35 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.436 ' NH2' ' OE1' ' A' ' 102' ' ' GLN . 0.7 OUTLIER -89.19 153.06 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -123.16 116.75 23.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.436 ' OE1' ' NH2' ' A' ' 100' ' ' ARG . 2.7 tt0 -107.9 125.33 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 84.7 m-85 -127.61 79.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.81 30.44 10.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.069 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.3 p 39.43 41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 p -142.71 -47.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -104.74 95.86 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.617 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 38.5 t -93.03 129.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 16.4 m-85 -125.23 173.15 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -133.56 118.28 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 3.8 t80 -84.44 134.61 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.0 t -134.53 146.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.47 104.88 51.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.06 -8.94 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 115' ' ' SER . 3.9 mttm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 89.3 mt -118.49 148.06 43.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.57 21.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CD1' HD22 ' A' ' 30' ' ' LEU . 40.4 p90 -140.67 162.8 34.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -110.07 123.29 49.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' LYS . 11.6 p -103.82 121.32 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -51.12 126.86 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 5.4 mt -113.71 162.07 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.45 170.87 1.99 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -111.09 -17.09 13.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.43 41.87 2.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.954 -0.441 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 152.24 46.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.22 160.93 33.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -149.44 99.57 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 133.7 42.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 mt -100.71 106.37 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -81.58 158.31 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 66' ' ' ASN . 16.6 mt -47.99 171.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m 78.14 -150.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 63' ' ' ASP . 49.0 t -106.73 150.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 m -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.65 114.4 9.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.28 167.84 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.85 -135.37 8.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.8 p -122.88 8.56 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 157.7 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tptt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.4 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 48.0 mt -93.62 128.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.99 99.02 6.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt -107.02 164.74 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -144.34 117.65 9.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.65 35.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.442 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 113.44 21.85 5.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.5 mm -103.66 152.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.532 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.1 mm-40 -117.11 179.83 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -105.39 76.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 80' ' ' ALA . 3.4 t60 -59.89 -60.12 4.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.5 178.4 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.475 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -132.91 121.17 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -90.33 114.64 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.5 m -113.43 121.19 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.411 ' HB3' ' CD2' ' A' ' 35' ' ' LEU . 33.9 t-20 -96.05 105.97 18.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.158 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -119.54 97.55 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 13.2 m-20 67.48 66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.1 30.43 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 68' ' ' ASP . 61.7 t -131.79 133.42 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.31 141.81 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.7 p -137.33 119.17 15.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 93' ' ' THR . 2.3 p -68.85 115.83 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.478 ' OG1' ' CG2' ' A' ' 92' ' ' THR . 58.8 m -117.79 105.28 47.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -114.49 29.51 7.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.72 122.74 27.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.415 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.1 tpt -77.92 60.5 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.22 -32.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.534 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . . . -64.0 112.94 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 24.7 mm-40 -86.13 129.65 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.8 m -128.82 106.05 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 52.5 m-85 -108.31 115.51 30.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 80.5 t -96.16 91.63 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.6 t0 79.21 33.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.61 26.32 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -133.3 113.45 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' CD ' ' OE1' ' A' ' 81' ' ' GLU . 7.6 ttt-85 -71.42 139.47 49.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.2 pt -108.15 150.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.65 -14.05 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -143.13 -175.06 4.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.478 ' CG2' ' OG1' ' A' ' 74' ' ' THR . 85.6 m -59.15 105.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 73' ' ' VAL . 21.2 m -104.56 134.23 48.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 32.6 ttm -66.6 155.23 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 65.5 mt -118.64 140.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.89 142.27 47.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.45 132.32 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.43 -49.05 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -38.52 138.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -89.29 155.4 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -131.51 106.83 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.456 ' OE1' ' CG2' ' A' ' 108' ' ' VAL . 6.6 tt0 -100.35 123.99 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 101' ' ' LEU . 90.7 m-85 -120.07 78.05 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 98.03 35.83 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.422 HG23 ' CE2' ' A' ' 83' ' ' TYR . 6.1 p 36.31 36.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 p -133.25 -57.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 78.0 m-70 -97.88 108.14 20.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.456 ' CG2' ' OE1' ' A' ' 102' ' ' GLN . 38.0 t -106.01 121.75 58.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 62.8 m-85 -121.62 164.73 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 9.1 tttt -119.64 120.63 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.494 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 7.3 t80 -78.27 134.03 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.493 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 54.2 t -135.27 147.2 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -113.61 96.33 40.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -7.0 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.448 ' HA ' ' CD ' ' A' ' 10' ' ' LYS . 13.0 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mttt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 90.3 mt -103.95 144.15 28.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.5 Cg_endo -74.93 144.73 30.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.629 ' CD1' HG12 ' A' ' 112' ' ' VAL . 22.7 p90 -140.09 163.41 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 101' ' ' LEU . 5.2 mt -110.82 111.22 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 110' ' ' LYS . 7.4 p -94.93 108.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.0 tt0 -48.71 137.05 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -118.94 166.49 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -67.56 174.25 2.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.955 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -74.99 0.43 8.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.34 -19.14 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.02 41.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 155.61 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -128.75 156.86 42.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 25.2 m-85 -148.16 104.45 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 123.27 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -82.51 75.1 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' LEU . 17.1 mt-30 -56.98 153.27 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.2 mt -39.37 157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER 86.39 162.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 63' ' ' ASP . 13.4 p -70.91 142.28 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 m -126.46 103.99 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -75.92 128.97 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.443 ' CG2' ' CD2' ' A' ' 64' ' ' LEU . 48.3 t -103.78 167.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.66 -140.56 11.86 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.0 p -115.49 -3.48 12.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.366 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 155.33 18.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 91.4 mt -98.75 145.95 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -135.13 98.93 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 mt -104.27 148.49 26.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.31 112.57 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.67 161.03 30.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.42 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.8 4.38 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm -85.23 152.71 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.1 mm-40 -113.9 177.74 1.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.1 Cg_endo -75.03 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -98.45 75.61 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 80' ' ' ALA . 2.6 t60 -64.0 -71.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.0 p -149.09 173.5 13.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.46 123.52 29.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.443 ' CD2' ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -93.33 117.24 29.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -113.73 121.02 42.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -91.66 106.71 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.48 105.91 12.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 67.64 23.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.77 -28.55 14.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -75.81 149.89 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.522 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 54.2 t -128.18 146.62 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.6 p -134.95 123.3 23.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.0 p -73.55 125.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.5 m -124.78 104.92 30.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.03 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.51 27.98 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.66 122.78 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -80.13 61.4 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.069 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.6 -32.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . . . -59.74 123.35 16.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 65.6 mt-10 -98.38 117.62 33.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -127.18 108.49 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 43.3 m-85 -108.76 119.81 40.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 97.2 t -88.2 91.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.1 t0 81.97 28.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.97 10.79 66.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -118.94 115.84 25.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.4 ttt180 -70.17 152.68 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.414 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 7.4 pt -114.47 171.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.12 15.22 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 179.22 -176.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -57.44 103.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.4 m -111.57 132.05 54.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.42 ' CE ' ' HG3' ' A' ' 96' ' ' GLN . 2.5 ttp -62.08 144.71 54.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 mt -110.24 147.48 33.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 5.6 mt-30 -127.28 151.79 48.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -63.48 128.26 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.7 -28.94 13.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.91 142.84 33.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -90.95 161.18 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.548 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -140.72 106.87 5.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.475 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.1 tt0 -99.83 109.29 21.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 98.3 m-85 -100.73 107.27 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 61.8 37.29 94.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.475 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 7.2 t 36.18 53.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -146.84 -55.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -106.29 110.81 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.4 t -103.77 132.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.6 m-85 -132.08 164.32 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.468 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -125.75 117.65 23.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.522 ' CE2' ' HB ' ' A' ' 71' ' ' VAL . 3.3 t80 -79.14 138.13 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.629 HG12 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -136.24 154.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.52 ' N ' HG23 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -136.57 102.26 9.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.464 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -7.76 19.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 115' ' ' SER . 7.8 mtmt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 16.5 mt -109.17 134.59 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.03 137.45 21.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.509 ' CZ ' ' HB ' ' A' ' 112' ' ' VAL . 49.9 p90 -132.96 166.05 23.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 15.1 mt -118.18 112.0 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 110' ' ' LYS . 7.2 p -92.63 101.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.7 tt0 -42.48 134.41 3.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 11.6 mt -120.03 164.12 16.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.69 172.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.5 8.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.7 10.13 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.66 44.24 40.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.999 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HD3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.68 139.24 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -120.78 141.89 50.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE2' ' HD3' ' A' ' 29' ' ' LYS . 13.9 m-85 -135.03 95.9 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 126.25 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.2 mt -88.74 95.43 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -66.08 -179.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.593 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -69.67 160.15 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 86.1 160.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 63' ' ' ASP . 14.5 p -67.46 125.03 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.7 m -113.95 108.33 16.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.09 123.9 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG12 ' CG2' ' A' ' 50' ' ' ILE . 40.0 t -97.05 150.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' N ' HG11 ' A' ' 40' ' ' VAL . . . 147.69 -151.51 23.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.4 p -102.16 -19.08 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 59' ' ' PRO . 6.1 mm-40 -94.16 156.28 16.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.447 ' CG2' HG12 ' A' ' 40' ' ' VAL . 96.3 mt -70.17 130.45 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 51.0 tt0 -120.07 106.14 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 mt -110.97 162.08 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 16.7 m-85 -137.1 120.25 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.72 155.94 27.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 93.69 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.07 -0.62 7.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.28 152.47 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -113.1 175.72 1.75 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.99 -54.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.407 ' O ' ' OG ' ' A' ' 77' ' ' SER . 10.9 t-160 -103.76 77.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 2.7 t60 -67.38 -61.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.3 p -165.63 173.31 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -121.64 147.02 46.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD13 ' CG2' ' A' ' 40' ' ' VAL . 2.3 mt -121.95 102.91 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -96.6 118.11 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -94.54 106.99 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 mmt -118.45 100.65 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 19.53 10.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -18.58 44.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.71 134.73 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.5 t -131.69 137.67 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 94' ' ' MET . 13.6 p -135.45 119.89 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.14 130.47 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -129.77 104.77 17.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.67 8.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -124.25 29.37 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -132.88 119.44 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.62 58.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t70 177.36 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.435 ' HB1' ' CG ' ' A' ' 58' ' ' GLN . . . -65.89 119.72 11.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.602 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.1 mt-10 -90.11 127.43 36.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -128.21 101.67 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 87.2 m-85 -105.63 120.4 41.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.543 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 67.6 t -97.94 92.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 18.6 t0 76.83 39.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.66 29.6 57.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -140.31 113.38 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -70.08 151.54 45.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.5 pt -119.66 151.65 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -114.82 -15.78 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -143.01 -178.18 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -55.45 107.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.3 m -108.94 123.28 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.469 ' HA ' ' CG2' ' A' ' 72' ' ' THR . 5.3 ttm -54.39 144.86 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.2 mt -106.07 154.32 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -138.44 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -74.17 128.12 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' MET . . . 100.28 -35.21 4.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.543 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 2.3 ttt -36.94 144.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -98.98 123.78 43.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -98.69 115.49 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.407 ' HB3' ' HB2' ' A' ' 83' ' ' TYR . 9.0 tt0 -108.54 107.98 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 85.4 m-85 -109.28 83.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 85.53 31.24 22.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' GLY . 7.1 p 37.94 32.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 104' ' ' GLY . 1.4 t -126.4 -43.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.8 t -95.69 133.88 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -129.99 164.94 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.446 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -129.61 115.37 17.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.3 t80 -82.66 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 8.9 t -130.52 137.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.39 105.15 53.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -3.82 14.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.813 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.456 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 43.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 72.2 mt -97.99 148.66 34.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.631 ' CD1' HG11 ' A' ' 112' ' ' VAL . 26.3 p90 -141.02 166.47 24.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 101' ' ' LEU . 5.9 mt -111.08 110.28 20.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 7.0 p -93.92 103.44 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -44.33 128.27 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.56 161.79 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -58.08 175.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -19.21 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.28 36.06 4.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 110.045 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.09 44.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.1 142.84 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 50.7 m-85 -133.96 100.28 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -71.47 125.91 28.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.27 79.39 9.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' LEU . 52.8 mt-30 -61.43 156.54 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 11.8 mt -39.63 156.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.31 159.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.9 p -67.4 150.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -135.21 104.77 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 131.47 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 t -107.42 165.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 134.51 -140.47 11.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.7 p -117.25 -11.12 10.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.433 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 157.7 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 tttt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -87.36 150.34 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -134.92 98.6 4.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -104.69 140.06 38.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -118.31 122.27 42.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.22 155.85 26.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.762 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.39 -7.25 5.0 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 mm -72.59 147.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -107.67 176.02 1.78 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.94 -55.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.473 ' CD2' ' HB2' ' A' ' 76' ' ' ARG . 8.9 t-160 -101.85 76.44 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 80' ' ' ALA . 2.7 t60 -67.45 -68.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -156.64 177.5 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -128.94 145.32 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mt -118.39 109.21 15.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.5 m -107.9 124.95 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -90.77 111.0 22.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.4 mmt -118.23 102.28 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.34 26.94 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.66 -27.5 19.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 71' ' ' VAL . 39.6 t -76.47 145.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.412 ' N ' HG11 ' A' ' 70' ' ' VAL . 54.5 t -130.41 145.03 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 p -133.43 119.14 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 p -71.45 124.59 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.8 m -124.9 103.94 30.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.31 6.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 30.0 mmt180 -116.92 35.28 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.51 144.19 49.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 7.9 ptp -96.15 59.8 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 78' ' ' MET . 11.0 m-20 164.67 -27.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.527 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . . . -59.33 104.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.536 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.2 mp0 -83.28 118.13 23.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 97.1 m -125.19 102.15 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 88' ' ' ARG . 33.7 m-85 -101.46 113.34 26.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 70.0 t -85.98 91.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.3 t0 77.46 30.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.91 60.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -123.01 112.65 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HB2' ' CD1' ' A' ' 83' ' ' TYR . 5.1 ttt-85 -74.95 127.6 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 pt -91.82 166.51 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 11.69 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 179.17 -175.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.7 m -50.2 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.2 m -114.37 120.32 39.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 43.9 ttm -56.18 138.35 50.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.6 mt -105.7 149.42 26.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -130.85 136.3 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -45.82 131.27 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.49 -36.18 4.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.18 141.97 17.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -90.27 165.11 14.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.572 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -143.67 110.75 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -105.21 106.21 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CZ ' HD21 ' A' ' 101' ' ' LEU . 97.0 m-85 -93.12 103.49 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.91 -93.72 1.91 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 177.23 57.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t -174.04 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -99.33 123.37 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.6 t -129.58 118.28 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -113.94 174.17 6.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -133.79 117.74 17.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.7 t80 -79.84 141.68 35.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -137.89 154.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.503 ' N ' HG22 ' A' ' 112' ' ' VAL . 1.9 t70 -135.24 98.73 12.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.472 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.05 -2.21 12.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.956 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 67.3 mt -108.47 142.31 25.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' HD21 ' A' ' 30' ' ' LEU . 48.1 p90 -129.11 168.29 16.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt -117.12 111.08 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 8.0 p -92.19 103.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.9 tt0 -46.03 131.65 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.404 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 10.3 mt -116.94 161.9 18.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -49.34 176.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.02 -4.54 15.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.45 -15.67 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 39.24 3.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 152.07 46.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.48 161.5 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -155.69 97.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 136.01 46.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.6 mt -97.11 79.91 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -46.81 154.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 16.6 mt -50.3 168.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.65 -146.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 t -103.26 135.54 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.7 m -129.1 94.61 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.7 130.36 36.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.0 t -100.48 167.56 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.95 -153.6 20.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.6 p -107.35 18.79 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.413 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.42 161.01 19.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.1 mt -107.93 147.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -129.8 98.7 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -102.9 154.36 19.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -134.21 118.27 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.99 161.9 32.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.84 -1.55 6.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 18.7 mm -83.6 152.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.522 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -115.7 179.24 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.99 -60.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -102.15 76.74 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.427 ' CD2' ' OG1' ' A' ' 82' ' ' THR . 3.1 t60 -61.3 -72.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.15 158.35 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -98.25 151.72 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt -130.22 90.17 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -92.5 121.34 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -97.52 116.87 30.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.56 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 40.1 mmm -118.81 95.58 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.39 5.61 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 125.4 -24.37 5.89 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.56 ' CG1' ' HB2' ' A' ' 67' ' ' MET . 13.8 p -73.81 135.69 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 ' CG ' ' A' ' 12' ' ' PRO . 25.1 t -127.48 138.99 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 3.7 p -129.86 123.33 30.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.0 p -82.13 120.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.6 m -120.34 106.14 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.87 3.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -86.39 -16.78 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -128.82 136.77 50.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 ttt -71.32 -41.67 69.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.92 -40.66 66.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 97.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -73.36 112.83 9.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.427 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 23.0 m -121.2 108.72 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 55.7 m-85 -113.91 121.04 42.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 59.5 t -97.76 91.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.6 t0 82.4 38.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.98 17.48 80.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -126.85 117.59 22.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.1 ttt180 -72.44 153.61 41.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.81 152.37 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -18.2 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -142.56 -175.94 4.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.234 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.448 ' CG2' ' HB ' ' A' ' 72' ' ' THR . 20.0 m -55.8 108.87 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.4 m -112.64 123.26 49.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 10.1 ttp -61.29 140.02 58.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.424 ' CD2' HG23 ' A' ' 84' ' ' VAL . 69.2 mt -104.87 149.35 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -131.34 169.04 16.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -73.19 130.29 39.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.39 -26.26 25.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.47 142.5 52.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -88.8 157.53 18.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.85 119.59 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -116.54 106.44 13.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.498 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 15.0 m-85 -98.6 85.86 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.57 -96.57 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' A' ' 105' ' ' THR . 0.5 OUTLIER 177.28 57.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 110.409 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 t -175.82 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -99.77 119.8 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.44 136.75 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 41.6 m-85 -130.43 174.85 9.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 112' ' ' VAL . 9.4 tttt -139.61 115.76 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.7 t80 -79.85 136.57 36.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 15.5 t -134.22 151.57 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.32 104.1 43.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -129.01 154.55 80.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -75.0 134.62 18.03 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CD2' HD21 ' A' ' 30' ' ' LEU . 48.2 p90 -128.8 166.42 19.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD22 ' CA ' ' A' ' 111' ' ' PHE . 35.6 mt -117.53 110.05 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -93.05 106.91 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 21.7 tt0 -47.84 135.53 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 12.0 mt -118.76 163.86 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -55.45 175.08 0.21 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.5 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.02 -14.17 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 38.01 6.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -68.46 154.19 42.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -121.46 128.48 52.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CD2' HG23 ' A' ' 50' ' ' ILE . 2.9 m-30 -113.54 77.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.477 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 4.0 mmt180 -52.39 128.92 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' GLN . 18.9 mt -93.0 67.95 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 10.3 mt-30 -35.67 147.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 34' ' ' GLN . 6.4 mt -44.47 169.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 36.2 t 66.95 -178.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.22 147.69 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.9 m -137.06 105.92 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -70.07 140.76 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG1' HD12 ' A' ' 52' ' ' LEU . 43.5 t -123.84 153.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 137.73 -146.95 18.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.7 p -110.54 14.59 22.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.54 156.12 23.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 31' ' ' TYR . 80.1 mt -94.55 143.88 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -135.08 99.37 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 31' ' ' TYR . 57.4 mt -99.7 151.53 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -136.03 114.14 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.9 160.81 31.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 96.94 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.08 3.62 8.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.6 mm -82.61 152.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.512 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.61 178.81 0.89 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -59.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -102.76 77.54 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 2.5 t60 -63.53 -68.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.6 p -154.83 178.83 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.87 121.49 20.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.453 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -86.31 108.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.5 m -95.0 105.38 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -90.05 110.92 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.579 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -114.7 96.25 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.16 7.5 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.28 -26.99 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.579 ' CG1' ' HB2' ' A' ' 67' ' ' MET . 14.0 p -73.14 126.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.474 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 16.0 t -113.91 138.03 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.8 p -131.66 119.66 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.424 ' CG1' HD12 ' A' ' 89' ' ' ILE . 6.4 p -74.11 117.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.1 m -115.8 104.33 52.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.433 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.449 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.0 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -116.73 35.15 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.48 149.62 52.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 8.7 ptp -98.5 59.82 1.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' MET . 4.3 m-20 162.34 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.566 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . . . -60.62 103.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 3.8 mp0 -84.35 124.63 31.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -127.94 101.79 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.438 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 57.7 m-85 -101.55 115.45 30.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 95' ' ' LEU . 63.1 t -87.88 91.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 22.3 t0 78.27 30.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.37 30.15 22.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -141.13 110.86 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -68.92 144.39 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.449 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 6.4 pt -110.32 156.94 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.1 p -113.99 -21.92 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -142.91 -175.27 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.4 m -53.85 108.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 m -113.85 122.06 45.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 50.9 ttm -59.35 141.08 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 84' ' ' VAL . 76.7 mt -104.26 142.71 34.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 p -57.95 127.52 32.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.84 -36.62 4.24 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.456 ' HE1' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.98 147.58 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.02 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -90.23 165.0 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -135.42 114.62 12.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.457 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 8.5 tt0 -113.82 111.64 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 92.0 m-85 -111.82 84.91 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.41 31.09 12.08 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.457 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 13.0 p 38.83 33.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 m -122.39 -58.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -104.44 122.23 45.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 45.4 t -108.74 139.36 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' LEU . 24.1 m-85 -139.34 160.73 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.16 118.36 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 4.5 t80 -85.16 133.92 34.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' HD3' ' A' ' 110' ' ' LYS . 25.0 t -135.11 144.08 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -111.98 103.41 55.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -22.42 14.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 74.8 mt -107.9 148.25 37.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.677 ' CE2' ' CG2' ' A' ' 112' ' ' VAL . 47.5 p90 -137.83 168.03 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 HD22 ' CA ' ' A' ' 111' ' ' PHE . 2.9 mt -117.22 118.28 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' CG1' ' HD2' ' A' ' 110' ' ' LYS . 9.3 p -102.62 108.03 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.9 tt0 -47.5 135.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mt -116.15 163.81 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.29 172.06 0.36 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -110.9 -16.15 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.7 32.67 7.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -67.51 154.81 40.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.98 154.34 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.52 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 25.4 m-85 -150.15 106.34 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 123.49 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.66 78.93 9.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.09 159.39 9.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' SER . 9.0 mt -41.26 156.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.78 161.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.7 p -68.34 145.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 m -125.41 104.49 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 40.2 mp0 -77.11 121.93 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG13 ' CG2' ' A' ' 50' ' ' ILE . 90.3 t -101.31 153.61 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.73 -148.39 20.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.8 p -110.34 -13.24 14.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 162.07 27.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.438 ' CG2' HG13 ' A' ' 40' ' ' VAL . 85.6 mt -82.12 127.0 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -116.57 98.76 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.4 mt -97.92 143.98 27.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 10.5 m-85 -133.64 113.83 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.39 163.72 32.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.15 2.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.11 42.32 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mm -119.75 152.58 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 2.6 mm-40 -113.38 177.58 1.15 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -74.99 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.472 ' CD2' ' HG3' ' A' ' 76' ' ' ARG . 2.2 t-160 -101.68 76.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 4.4 t60 -64.71 -70.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.1 p -154.73 174.82 14.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -124.46 152.44 43.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mt -124.81 102.46 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 79.0 m -99.69 120.98 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -92.96 106.85 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -119.09 107.71 13.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.98 20.51 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.66 -27.3 21.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 71' ' ' VAL . 94.5 t -75.71 141.86 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.435 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 49.3 t -129.38 146.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.5 p -134.95 119.59 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.427 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.6 p -71.48 126.74 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.5 m -128.0 108.04 20.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.22 7.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 17.8 mmm180 -88.34 -16.11 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.4 m -132.79 135.97 46.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -41.48 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -33.9 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.484 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . . . -68.18 99.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.1 mp0 -71.49 116.76 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.6 m -127.19 108.66 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 35.5 m-85 -113.59 120.1 39.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.9 t -95.12 91.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.9 OUTLIER 80.57 38.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.14 12.96 83.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -120.99 118.21 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.551 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.7 ttt180 -74.54 152.92 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.7 pt -117.13 174.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.99 18.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.04 -174.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.7 m -53.72 104.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -113.56 123.4 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 44.9 ttm -53.64 144.19 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.7 mt -116.23 142.4 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -124.18 137.27 54.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -45.75 128.79 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 -40.35 2.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.82 143.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -90.09 164.95 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -145.85 108.89 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.445 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 19.9 tt0 -98.27 115.88 29.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 97.9 m-85 -110.01 102.73 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.59 36.62 48.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.445 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 10.0 t 35.88 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.5 t -149.24 -46.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.425 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 30.3 m-70 -100.32 105.05 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.52 129.7 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -129.77 168.44 16.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.434 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -128.6 116.27 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.8 t80 -79.62 137.96 37.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.677 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.89 156.65 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.493 ' N ' HG21 ' A' ' 112' ' ' VAL . 1.2 t70 -136.79 95.61 12.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.521 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.528 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 21.9 mt -100.72 154.39 37.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.96 141.63 27.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.667 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 42.7 p90 -138.71 166.66 23.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.495 HD23 ' CA ' ' A' ' 111' ' ' PHE . 2.7 mt -116.5 123.02 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 9.9 p -107.47 102.21 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.6 tt0 -38.75 137.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -118.12 167.49 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.0 171.25 5.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.47 11.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 2.01 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 45.01 11.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.31 155.55 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.556 HD22 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.85 146.1 51.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 35.8 m-85 -140.37 102.76 4.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -73.04 135.88 44.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 mt -97.41 80.53 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -64.65 155.85 32.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.1 mt -50.66 110.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 156.35 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.57 109.57 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.3 m -104.55 108.26 19.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.35 126.75 34.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.06 147.09 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.29 -139.04 8.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.0 p -117.69 18.93 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 110.388 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -118.39 170.46 8.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.4 mt -100.18 117.29 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.486 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 39.0 tt0 -118.22 102.24 8.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.4 mt -108.6 165.82 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 22.6 m-85 -139.91 122.29 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.57 159.49 30.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 94.03 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 125.78 0.37 7.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.56 1.163 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 16.4 mm -81.07 152.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -115.11 178.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.01 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.433 ' NE2' ' OD2' ' A' ' 63' ' ' ASP . 7.1 t-160 -100.43 76.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.648 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.508 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.5 t60 -63.12 -62.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.95 168.97 18.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' NE2' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -117.86 137.86 52.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.9 mt -113.27 91.89 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.513 ' O ' ' CE ' ' A' ' 67' ' ' MET . 79.7 m -92.95 132.5 37.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.419 ' ND2' HD23 ' A' ' 35' ' ' LEU . 38.1 t-20 -103.1 110.69 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.85 103.12 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 60.84 48.91 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.05 76.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.67 129.64 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.243 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 42.0 t -122.37 140.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.4 ' CG2' ' HA ' ' A' ' 94' ' ' MET . 5.7 p -137.99 118.76 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.29 122.98 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.7 m -124.74 106.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.443 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -125.23 22.8 7.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.9 118.5 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.5 64.36 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 174.19 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.508 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -64.51 112.69 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mt-10 -85.15 120.19 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.2 m -121.67 109.89 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 79.7 m-85 -114.0 117.63 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 98.2 t -92.61 91.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.5 t0 79.58 35.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.43 12.31 80.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.5 116.5 25.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.3 ttt180 -71.88 152.6 42.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.443 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 6.7 pt -114.13 170.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 m -139.36 13.28 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 176.74 -174.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.3 m -54.29 101.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.5 m -110.26 118.92 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.4 ' HA ' ' CG2' ' A' ' 72' ' ' THR . 30.7 ttm -52.93 141.9 20.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.4 mt -109.36 146.46 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -125.25 144.95 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -54.34 127.91 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.51 -42.21 1.98 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.438 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -42.96 148.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -88.98 160.0 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -132.59 114.4 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.232 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -107.13 123.16 47.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 18.4 m-85 -118.89 78.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.69 34.6 11.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p 38.92 50.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -146.24 -49.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -108.83 97.7 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 40.8 t -93.43 132.62 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -132.16 173.72 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.78 115.5 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.1 t80 -80.54 142.23 34.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.667 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 1.1 m -134.94 157.65 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.499 ' N ' HG23 ' A' ' 112' ' ' VAL . 4.5 t70 -136.23 93.02 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.528 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -10.82 21.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 27.5 mt -118.28 137.16 24.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.448 ' CG ' HG22 ' A' ' 71' ' ' VAL . 18.2 Cg_endo -74.98 140.14 25.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.625 ' CD1' HD12 ' A' ' 30' ' ' LEU . 49.1 p90 -143.5 165.15 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -113.03 130.11 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 110' ' ' LYS . 9.2 p -110.49 119.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -50.74 129.36 22.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 10.6 mt -117.98 162.53 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 170.46 0.48 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -113.17 -15.88 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.97 47.26 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 110.002 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -66.94 152.43 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.383 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.625 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.22 150.49 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 74.3 m-85 -143.77 111.47 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 141.59 28.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.0 mt -99.22 81.27 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.85 157.96 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.3 mt -42.73 163.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.31 -149.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 63' ' ' ASP . 61.7 t -112.82 156.83 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 m -138.64 99.29 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 28.5 mp0 -77.49 118.34 19.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' A' ' 52' ' ' LEU . 23.8 t -97.29 162.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.09 -129.72 5.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 p -125.42 6.06 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.66 149.99 33.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.2 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.5 mt -88.03 126.32 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.493 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 53.0 tt0 -119.87 99.31 6.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD2' HG11 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -102.64 170.85 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 51' ' ' GLN . 9.7 m-85 -146.06 115.45 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.75 164.47 34.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.575 1.172 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.433 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 109.15 19.23 8.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -102.54 152.41 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.531 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.6 mm-40 -118.6 179.97 0.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.531 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.5 Cg_endo -75.03 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 6.5 t-160 -101.29 75.32 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 80' ' ' ALA . 4.9 t60 -60.25 -69.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.4 p -153.56 167.79 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -114.67 140.02 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.0 mt -117.27 90.82 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 m -94.66 150.19 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -117.95 106.08 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 66.2 mmm -119.39 97.49 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 67.56 54.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.34 20.33 50.35 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.84 138.14 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 12' ' ' PRO . 66.9 t -135.74 137.17 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.4 ' N ' HG11 ' A' ' 71' ' ' VAL . 22.5 p -137.33 119.21 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 p -67.1 117.03 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.4 m -116.76 107.2 46.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.21 -22.28 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 m -126.93 132.43 50.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtt -68.51 -35.07 76.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.33 -37.62 81.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . . . -67.45 98.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.3 mp0 -66.73 119.54 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -127.08 104.59 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 42.1 m-85 -106.67 115.85 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 50.1 t -94.56 91.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.0 t70 80.58 35.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.54 26.33 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -136.96 116.4 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 110.349 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 4.9 ttt-85 -71.32 133.27 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.6 pt -101.37 153.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -114.24 -18.92 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -143.26 -176.24 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 78.6 m -54.4 105.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.0 m -108.08 133.94 51.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 33.4 ttm -67.41 150.92 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.444 ' CD2' HD12 ' A' ' 101' ' ' LEU . 38.8 mt -109.87 135.42 50.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -123.9 139.82 53.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 p -45.76 128.54 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.27 -40.37 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.439 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -44.86 143.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -97.56 134.17 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -109.32 107.14 17.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -106.92 122.13 45.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 101' ' ' LEU . 3.6 m-30 -109.65 84.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.92 -92.24 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.422 ' O ' ' OG1' ' A' ' 105' ' ' THR . 0.5 OUTLIER 176.94 57.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 110.381 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.1 p -170.38 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -100.2 112.41 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -124.8 118.88 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.523 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 53.8 m-85 -119.29 158.64 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HE3' ' CG2' ' A' ' 112' ' ' VAL . 13.1 tttt -111.98 117.32 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.483 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.4 t80 -77.99 126.64 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.491 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 24.2 t -130.04 146.08 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.75 101.84 50.51 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.515 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -3.9 14.6 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 31.0 mt -105.44 152.56 39.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.05 140.86 25.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.693 ' CE2' ' CG2' ' A' ' 112' ' ' VAL . 49.4 p90 -139.6 166.91 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 5.1 mt -114.81 116.38 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.429 ' HB ' HD22 ' A' ' 30' ' ' LEU . 9.3 p -101.03 105.71 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 12.7 tt0 -42.04 133.1 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.4 mt -110.33 162.67 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 171.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.22 -12.64 12.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.27 38.32 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.065 -0.398 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CD ' ' OH ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -67.4 152.3 45.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.35 154.6 48.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' OH ' ' CD ' ' A' ' 29' ' ' LYS . 40.6 m-85 -152.97 104.44 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -73.14 134.44 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.31 77.82 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.39 153.7 43.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.9 mt -45.88 109.14 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER 159.55 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 p -108.16 111.75 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 49' ' ' SER . 17.7 m -99.8 101.63 12.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.01 111.02 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.461 HG11 ' CD2' ' A' ' 52' ' ' LEU . 58.9 t -89.36 148.31 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.67 -139.05 7.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.6 p -122.11 1.51 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -111.28 159.61 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.432 ' HA ' ' CG2' ' A' ' 38' ' ' THR . 9.0 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.465 HG21 ' CD2' ' A' ' 52' ' ' LEU . 83.3 mt -91.45 135.26 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -128.67 104.09 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -105.85 168.96 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.92 113.2 7.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.38 160.78 30.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 99.51 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 121.4 6.05 9.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.4 mm -88.36 152.43 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.509 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -115.88 179.08 0.84 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.01 -59.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -100.66 76.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.525 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.6 t60 -62.55 -70.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.9 p -153.07 176.31 12.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.84 123.1 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.5 99.75 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.505 ' O ' ' CE ' ' A' ' 67' ' ' MET . 92.0 m -101.44 133.32 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.434 ' CG ' ' CD2' ' A' ' 35' ' ' LEU . 39.4 t-20 -103.65 110.92 23.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.63 99.84 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 1.5 m-20 60.54 61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.94 27.64 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 68' ' ' ASP . 4.7 t -127.35 131.03 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' THR . 40.7 t -123.23 139.41 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.8 p -137.58 118.86 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.57 121.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 m -122.08 107.01 35.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -116.81 25.08 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.36 120.45 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.42 62.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t0 172.15 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.525 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.71 111.5 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.467 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 12.0 mt-10 -87.64 123.14 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.7 m -122.7 100.69 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 71.6 m-85 -99.59 113.21 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 55.6 t -87.95 92.08 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.8 t0 80.16 25.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.98 22.92 29.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.18 110.7 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -69.56 143.11 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 22.8 pt -105.06 174.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -140.96 14.29 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.71 -175.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.1 m -52.74 104.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -115.94 122.31 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.9 150.56 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.0 mt -117.43 147.99 42.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -127.73 145.82 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -56.21 129.52 40.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.04 -36.4 4.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -47.42 139.58 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 2.0 mtm105 -88.9 140.1 29.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.492 HD13 ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -112.54 114.75 27.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.421 ' NE2' ' HB ' ' A' ' 105' ' ' THR . 36.5 tt0 -119.31 118.13 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.492 ' CE1' HD13 ' A' ' 101' ' ' LEU . 11.4 m-85 -112.75 101.3 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 70.52 34.0 67.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 102' ' ' GLN . 1.9 t 38.75 51.22 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.2 t -137.3 -56.13 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -108.34 106.5 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 33.7 t -97.49 132.77 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 28.4 m-85 -132.5 177.54 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.499 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -138.31 112.65 8.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.0 t80 -78.32 142.43 37.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.693 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -135.24 156.34 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 112' ' ' VAL . 5.3 t0 -134.95 93.12 17.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.519 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 114' ' ' PRO . 11.6 mt -103.94 135.81 19.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.02 140.73 25.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.656 ' CD1' HG13 ' A' ' 112' ' ' VAL . 17.5 p90 -134.84 165.13 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.419 HD22 ' CA ' ' A' ' 111' ' ' PHE . 4.7 mt -114.25 108.47 16.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 8.0 p -92.41 113.65 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -51.89 128.53 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.19 164.08 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -59.07 173.99 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.93 0.98 8.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -123.08 21.85 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.86 47.61 87.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.988 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 155.56 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.567 HD22 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -126.98 125.94 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE2' ' CE2' ' A' ' 109' ' ' PHE . 13.8 m-30 -112.59 103.3 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 13' ' ' TYR . 4.3 mtt180 -73.53 138.47 45.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.2 mt -103.87 102.56 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.94 176.7 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.41 160.13 25.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p 87.53 -144.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.558 ' CG2' ' HB2' ' A' ' 63' ' ' ASP . 1.4 p -113.0 151.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 m -133.83 100.91 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.51 128.55 35.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.407 ' CG2' ' CD2' ' A' ' 64' ' ' LEU . 36.5 t -105.57 168.73 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.22 -149.26 19.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.3 p -105.92 -14.16 15.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.56 157.21 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.405 HG23 ' CD2' ' A' ' 31' ' ' TYR . 64.5 mt -91.81 124.48 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -113.15 113.66 25.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.7 mt -113.62 151.86 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.447 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 38.2 m-85 -134.36 120.22 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.93 160.42 32.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.01 4.04 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -89.99 152.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.49 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -114.98 177.57 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -106.12 77.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.537 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.9 t60 -65.17 -68.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.8 p -156.71 170.99 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.558 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -126.57 126.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.407 ' CD2' ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -91.08 115.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.3 m -103.47 102.26 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -85.84 106.17 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -119.42 119.12 33.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.49 17.97 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.31 -29.05 11.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.2 t -74.51 140.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 56.1 t -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.8 p -137.84 120.05 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.4 ' CG1' HD13 ' A' ' 89' ' ' ILE . 3.1 p -71.3 125.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.7 m -124.69 102.63 32.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.454 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.0 122.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -123.83 33.85 5.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.97 140.74 47.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.439 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.7 ptp -91.85 61.34 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 78' ' ' MET . 2.4 m-20 163.25 -28.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.537 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -59.84 108.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.2 mp0 -86.47 125.3 33.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.2 m -127.59 105.23 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 76.1 m-85 -108.52 117.21 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 92.3 t -87.67 92.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' VAL . 1.7 m-20 65.37 44.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.66 28.66 56.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -136.37 105.9 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -68.49 151.01 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 75' ' ' PRO . 6.2 pt -115.41 158.23 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -130.99 7.56 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.21 -178.67 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -50.06 103.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.0 m -114.48 125.65 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 5.1 ttp -62.55 145.43 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.86 146.13 38.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.75 142.21 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -53.49 128.94 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.75 -17.71 48.9 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.463 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -71.47 143.44 50.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.6 mtm-85 -89.25 163.03 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.537 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -141.73 107.06 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -100.13 106.11 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.537 ' CZ ' HD21 ' A' ' 101' ' ' LEU . 96.9 m-85 -96.45 88.13 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.18 -93.74 1.05 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 105' ' ' THR . 0.5 OUTLIER 176.13 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -177.21 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 50.2 m-70 -103.06 112.63 25.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.6 t -121.95 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.469 ' CE2' ' CE2' ' A' ' 31' ' ' TYR . 9.3 m-85 -122.59 169.21 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -127.41 117.53 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 5.5 t80 -79.47 140.38 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.656 HG13 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -139.78 153.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.505 ' N ' HG23 ' A' ' 112' ' ' VAL . 7.1 t70 -136.65 102.98 9.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.437 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -3.17 13.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 91.0 mt -102.52 144.56 28.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.02 144.52 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.605 ' CZ ' HG22 ' A' ' 112' ' ' VAL . 31.9 p90 -141.52 170.59 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 HD21 ' CA ' ' A' ' 111' ' ' PHE . 3.1 mt -115.52 119.8 37.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 110' ' ' LYS . 8.5 p -102.53 101.91 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 24.8 tt0 -40.24 136.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -118.72 165.73 13.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.406 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -61.47 173.33 0.79 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.34 -18.38 13.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.95 5.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.005 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.432 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 153.32 43.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.568 HD11 ' CG ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.23 149.5 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 43.5 m-85 -144.99 114.97 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -82.14 117.1 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.7 mt -77.16 80.06 3.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.59 152.48 26.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.0 mt -43.53 164.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.6 m 87.38 -150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 63' ' ' ASP . 21.4 t -111.02 146.31 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.2 m -132.85 106.68 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -78.47 134.6 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.434 ' CG2' ' CD2' ' A' ' 64' ' ' LEU . 23.7 t -112.89 162.27 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 130.06 -138.23 10.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.6 p -115.67 10.86 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.92 167.93 10.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.0 mt -85.2 129.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.24 103.45 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' GLY . 27.3 mt -104.23 164.86 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 22.5 m-85 -143.17 117.7 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.21 157.98 28.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 134.28 -9.71 4.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.9 mm -72.25 152.48 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.483 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -112.4 177.14 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.459 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 10.9 t-160 -98.66 75.53 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.563 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.2 t60 -64.7 -71.96 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.8 p -148.72 175.43 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.266 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 1.4 m-20 -132.81 116.78 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -84.78 121.25 27.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.4 m -121.79 116.68 24.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.452 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -85.23 106.44 16.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.416 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 85.4 mmm -118.97 98.3 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.29 76.94 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.85 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' ASP . 73.4 t -136.61 147.54 27.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.482 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 64.6 t -129.91 147.14 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 71' ' ' VAL . 18.1 p -138.01 120.01 15.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.424 ' CG1' HD12 ' A' ' 89' ' ' ILE . 3.7 p -74.75 114.33 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.6 m -113.89 104.49 55.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -124.37 28.35 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.13 131.18 48.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.7 60.24 6.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.01 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.19 107.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 9.7 mp0 -84.1 121.34 27.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 115.82 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 39.4 m-85 -116.49 118.9 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 71.5 t -90.24 91.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.5 t0 79.05 30.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.55 22.67 46.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -128.57 111.03 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 110.352 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' HB2' ' CE2' ' A' ' 83' ' ' TYR . 9.0 ttt-85 -71.68 131.43 43.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.424 HD12 ' CG1' ' A' ' 73' ' ' VAL . 9.2 pt -101.55 152.9 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.238 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.02 -17.14 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -142.93 -177.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.8 m -54.12 105.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.4 m -110.35 134.88 51.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.56 150.98 47.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 81.0 mt -118.17 141.14 48.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -125.97 144.3 50.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 p -52.22 130.17 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.51 -31.96 8.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.63 142.81 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.747 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -90.12 163.97 14.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.556 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -144.25 106.73 4.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.469 ' OE1' ' CE1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -95.73 119.8 34.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CZ ' HD21 ' A' ' 101' ' ' LEU . 97.2 m-85 -113.6 93.24 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 78.8 36.26 29.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.461 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 16.3 p 37.11 42.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -144.78 -46.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.409 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 62.5 m-70 -106.86 98.99 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.612 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.39 123.51 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 6.7 m-85 -120.83 172.87 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.489 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -130.89 117.92 19.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.7 t80 -78.92 135.78 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.605 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.31 155.12 41.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.499 ' N ' HG21 ' A' ' 112' ' ' VAL . 0.6 OUTLIER -137.19 101.62 9.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -0.99 10.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 41.9 mt -105.24 151.1 39.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.97 141.39 26.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.702 ' CE1' ' CG2' ' A' ' 112' ' ' VAL . 49.4 p90 -139.54 168.31 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.527 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 8.2 mt -118.78 121.39 39.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 10.0 p -106.39 105.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 5.9 tt0 -41.77 132.49 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 mt -112.86 161.71 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.423 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.36 173.79 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -74.99 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.48 -5.35 15.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.33 36.88 19.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.031 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.94 154.79 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.626 HD13 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.94 149.99 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 40.2 m-85 -146.69 105.83 3.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.09 124.75 27.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -87.96 75.77 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -63.11 163.53 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -43.82 165.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 87.27 -155.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.1 p -117.62 143.76 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.9 m -123.35 103.39 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -75.12 119.07 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 52' ' ' LEU . 92.6 t -95.18 168.05 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.43 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . 130.33 -145.86 17.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.0 p -112.43 -10.92 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.59 150.71 26.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 tptm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.9 mt -87.25 119.28 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -114.52 98.51 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -97.9 167.47 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.418 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 19.7 m-85 -146.95 112.35 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.65 160.7 30.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.15 3.42 8.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -84.15 152.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.484 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -114.5 177.46 1.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -60.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 12.2 t-160 -99.4 75.94 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 2.7 t60 -64.42 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.9 p -148.09 176.34 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.262 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 2.4 m-20 -136.2 122.4 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.455 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -91.54 116.53 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.9 m -116.42 118.75 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -84.88 106.67 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.08 97.88 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 70.0 59.65 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.25 20.08 9.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.9 t -125.11 146.47 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.48 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 53.5 t -127.39 143.45 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 p -136.77 120.16 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.71 124.37 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -124.11 105.46 31.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.11 8.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.4 mmm180 -120.73 19.99 11.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.1 122.24 35.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -79.53 62.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.7 m-20 171.41 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . . . -61.34 121.51 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 15.7 mt-10 -91.1 122.02 33.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -128.17 102.89 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 36.1 m-85 -107.19 118.88 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 60.7 t -92.94 92.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.6 t70 83.51 29.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.16 23.01 53.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -133.11 112.45 11.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.19 151.84 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.0 pt -112.96 174.51 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -141.81 17.81 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.53 -174.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.0 m -57.65 102.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -110.16 129.21 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 42.6 ttm -58.37 149.78 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.6 mt -117.67 141.39 48.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.06 158.63 25.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 p -70.46 120.16 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.01 -31.08 7.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.03 143.85 9.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -88.62 147.1 24.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.21 115.62 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.43 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 12.5 tt0 -115.25 111.52 21.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 83.2 m-85 -114.07 86.79 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.46 26.02 24.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.43 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 5.5 t 39.31 51.49 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -146.09 -49.67 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.418 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 54.5 m-70 -108.66 93.89 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -87.12 137.35 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -134.75 170.1 16.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 112.45 12.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.527 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 2.6 t80 -78.55 136.41 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.702 ' CG2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -130.03 156.6 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.489 ' N ' HG23 ' A' ' 112' ' ' VAL . 6.5 t70 -135.86 93.13 15.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.98 -3.98 14.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 92.3 mt -111.42 146.82 35.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.457 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.645 ' CD1' ' CD2' ' A' ' 30' ' ' LEU . 50.1 p90 -141.19 164.44 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -117.07 139.2 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 16' ' ' GLU . 5.9 p -115.07 106.68 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' CD2' ' A' ' 109' ' ' PHE . 29.7 tt0 -35.05 122.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.2 mt -122.18 167.03 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 167.61 29.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -2.99 13.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.03 -15.87 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.65 42.86 3.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.967 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.21 151.36 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.645 ' CD2' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -123.46 157.73 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 21.6 m-85 -150.77 111.93 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 2.0 mtt-85 -89.65 142.33 27.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.7 mt -100.28 78.38 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -67.51 167.91 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 15.4 mt -40.75 158.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 85.99 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.7 p -105.18 139.72 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 m -117.05 122.13 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -97.65 126.47 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.519 ' CG1' HD22 ' A' ' 52' ' ' LEU . 11.8 t -103.98 148.37 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.76 -141.35 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.3 p -116.05 7.71 14.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.779 . . . . 0.0 110.449 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 160.07 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 tptt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.592 ' CG2' ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -92.44 127.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.87 110.91 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.592 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 4.0 mm? -108.05 135.82 48.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.25 113.21 18.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.88 166.51 39.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.54 2.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.75 16.83 6.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 5.4 mm -101.63 152.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.562 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -121.83 -178.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.96 -58.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -102.34 74.6 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.592 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.487 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 4.8 t60 -57.64 -68.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.2 p -152.68 164.23 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -111.07 132.96 53.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -112.66 110.4 20.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.5 m -108.13 146.88 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -119.37 107.38 13.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -118.68 99.15 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.69 22.08 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.68 -18.62 56.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.3 143.58 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.447 HG21 ' CG ' ' A' ' 12' ' ' PRO . 48.0 t -135.22 136.95 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 p -136.68 119.03 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.09 119.5 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.9 m -119.61 105.37 43.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.22 5.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -119.56 30.84 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.19 124.02 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.4 ttp -80.14 60.42 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.8 m-20 170.47 -32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.487 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -65.68 102.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 13.6 mp0 -75.83 125.72 29.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 m -127.91 110.98 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.568 ' CE2' HG22 ' A' ' 105' ' ' THR . 37.3 m-85 -115.47 116.62 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.6 t -92.75 91.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.3 t70 82.7 31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.93 7.35 84.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -114.65 115.11 26.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 8.1 ttt180 -69.71 153.28 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.0 pt -124.25 150.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.64 -15.22 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -142.33 -177.61 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -56.61 102.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.6 m -103.63 130.53 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.3 156.3 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 101' ' ' LEU . 29.8 mt -116.02 138.43 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -120.91 154.87 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.5 p -67.74 122.23 17.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.16 -32.79 6.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.7 142.69 49.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -88.56 151.44 22.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -125.97 106.17 9.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -91.41 133.35 35.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 101' ' ' LEU . 14.7 m-85 -124.07 71.28 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 96.73 39.13 4.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.568 HG22 ' CE2' ' A' ' 83' ' ' TYR . 17.7 p 32.41 45.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.6 p -144.37 -47.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -122.81 105.0 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.616 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.58 ' C ' ' CD1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -104.24 165.18 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 30.4 m-85 -150.18 160.52 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -111.98 112.83 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.4 t80 -79.08 129.51 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.9 t -127.78 145.29 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -112.16 97.55 39.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.453 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 -4.81 15.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.037 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -155.66 96.74 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 0.79 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -133.34 -61.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.13 173.92 14.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.98 157.22 26.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.966 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -145.82 102.55 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.06 80.49 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.127 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -16.15 20.28 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.479 1.778 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.8 2.84 52.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.26 60.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 19.7 mt -100.16 155.02 36.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -74.97 137.75 22.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CD2' HD21 ' A' ' 30' ' ' LEU . 37.3 p90 -131.53 163.23 28.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.7 mt -115.34 109.47 17.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 7.2 p -92.68 102.73 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 25.4 tt0 -45.59 133.27 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 11.6 mt -118.34 163.68 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -51.85 174.27 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.39 -11.13 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 41.11 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 t -124.13 161.16 26.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.977 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -88.84 107.49 19.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 t -55.88 179.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.09 15.35 17.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.6 -175.82 3.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -95.45 110.98 53.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 161.86 38.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.78 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.07 153.3 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.559 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.97 139.22 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -131.82 97.81 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -70.07 110.53 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' A' ' 50' ' ' ILE . 32.0 mt -73.46 88.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' LEU . 47.7 mt-30 -71.95 158.24 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.8 mt -40.09 157.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.2 m 85.59 163.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 12.4 p -71.08 138.57 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -121.3 103.98 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 23.3 mp0 -72.78 139.55 47.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' CG2' HD22 ' A' ' 64' ' ' LEU . 16.5 t -114.3 168.12 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.05 -151.51 18.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -104.52 -17.65 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.367 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -79.94 157.68 26.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.47 98.15 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.412 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 17.3 m-85 -88.46 -57.11 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.31 162.13 13.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -63.29 -38.32 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -113.27 60.84 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.6 p -103.98 175.24 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.425 HD13 ' CD2' ' A' ' 33' ' ' LEU . 15.8 mt -95.3 119.61 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -112.3 98.87 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -103.34 143.66 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.85 112.25 13.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.36 159.84 30.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.02 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 116.11 15.19 7.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -99.08 152.8 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 1.6 mm-40 -112.43 175.11 1.99 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.05 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 1.7 t-160 -107.67 78.69 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.476 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 2.4 t60 -69.64 -70.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.78 168.62 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 2.2 m-20 -127.12 121.82 32.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -88.09 115.36 25.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.7 m -115.44 118.31 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -92.61 106.6 18.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 mmt -118.76 97.46 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.473 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.3 OUTLIER 67.55 68.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.14 27.11 2.46 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.436 1.085 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 68' ' ' ASP . 46.3 t -130.62 134.32 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 72' ' ' THR . 21.6 t -124.89 139.09 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.459 ' CG2' ' HA ' ' A' ' 94' ' ' MET . 22.1 p -133.51 125.04 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.388 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.7 p -70.27 124.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -122.92 105.29 35.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -78.91 -22.77 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -127.55 132.95 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -35.97 78.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.32 -40.18 89.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.476 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . . . -63.61 97.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 12.7 mp0 -67.35 120.25 13.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.7 m -128.26 110.18 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 81' ' ' GLU . 28.7 m-85 -113.46 118.46 34.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 57.3 t -92.27 91.72 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER 80.67 37.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.67 18.72 77.02 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -127.58 115.86 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.59 154.12 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.7 pt -120.65 166.1 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 m -135.44 10.33 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -174.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 36.8 m -51.46 107.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -113.8 118.69 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.459 ' HA ' ' CG2' ' A' ' 72' ' ' THR . 37.1 ttm -52.92 139.48 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' HA ' ' CE ' ' A' ' 99' ' ' MET . 76.5 mt -107.31 143.73 35.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -129.28 154.57 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -62.18 125.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.1 -34.43 5.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 95' ' ' LEU . 4.3 mtm -55.57 135.09 51.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.761 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.07 160.93 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.583 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -138.87 107.68 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.462 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 14.3 tt0 -96.01 116.6 29.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CZ ' HD21 ' A' ' 101' ' ' LEU . 76.1 m-85 -109.19 106.45 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 69.0 35.3 78.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.462 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 18.8 p 37.7 56.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.37 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.6 p -166.5 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -100.96 93.96 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.5 t -98.02 135.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' LEU . 17.6 m-85 -135.38 154.78 51.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -118.4 119.47 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.6 t80 -86.64 133.64 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.1 t -132.37 143.0 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -113.18 104.89 55.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.01 -13.15 21.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -60.84 -47.83 84.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.43 143.45 6.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 71.63 4.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t 51.89 88.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.947 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.26 143.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -110.38 132.62 54.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 m -134.89 -58.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.1 140.92 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.98 167.62 18.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.78 . . . . 0.0 110.048 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -145.06 102.22 3.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.73 -169.58 36.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -22.46 15.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 10' ' ' LYS . 2.1 pt-20 -102.74 45.17 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -165.02 30.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 31.4 mt -95.85 155.04 38.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.96 29.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.615 ' CD2' HD12 ' A' ' 30' ' ' LEU . 23.6 p90 -135.45 161.79 34.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 11.7 mt -117.95 108.63 15.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 9.1 p -92.89 105.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 22.8 tt0 -48.19 132.12 16.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 10.6 mt -118.44 164.07 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.79 171.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.42 13.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.2 -6.34 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.26 38.45 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -120.02 159.54 24.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.01 75.68 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -150.07 54.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.68 57.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t0 66.52 179.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -65.11 111.92 7.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 164.45 33.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 152.11 46.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -130.92 150.5 52.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -148.35 102.05 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.34 112.11 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -73.48 88.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 51.1 mt-30 -72.57 159.28 34.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.5 mt -40.17 156.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.4 m 85.83 162.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 12.7 p -67.63 147.99 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 m -131.92 103.13 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 49.5 mp0 -73.14 136.53 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' CG2' ' CD2' ' A' ' 64' ' ' LEU . 54.0 t -113.14 168.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.4 -146.63 17.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.3 p -112.79 8.28 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.33 175.24 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 110.08 12.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 19.9 m-85 -104.54 -67.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.49 -168.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -79.07 -45.32 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -115.26 62.99 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.2 p -87.58 149.78 24.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.5 mt -74.62 113.57 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.42 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD22 ' CZ ' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -127.02 167.36 16.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -145.62 122.22 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.59 158.0 29.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.78 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.422 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 129.85 -4.14 6.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.0 mm -79.45 152.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.49 175.89 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.02 -53.83 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.569 ' CE1' ' CE2' ' A' ' 45' ' ' PHE . 1.2 t-160 -104.82 77.63 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.56 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.27 -71.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.2 p -148.74 165.81 30.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.315 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -122.76 115.98 22.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' CD2' ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -85.28 113.1 21.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 89.0 m -114.9 122.05 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -94.57 106.68 18.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -118.97 98.83 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 t70 67.09 61.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.79 23.87 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -125.68 136.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 72' ' ' THR . 46.0 t -125.92 136.94 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.403 ' N ' HG12 ' A' ' 71' ' ' VAL . 31.5 p -131.37 120.28 22.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.48 124.83 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.0 m -127.98 108.21 20.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -73.84 -22.63 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.0 m -129.87 140.05 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.7 mtp -70.78 -44.25 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -36.19 25.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.36 105.81 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 8.4 mp0 -79.37 114.7 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -120.93 105.55 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 88' ' ' ARG . 48.8 m-85 -106.05 115.46 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 92.7 t -87.2 91.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER 74.98 31.46 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.01 46.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -127.9 111.09 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -71.47 132.99 45.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.8 pt -98.24 169.0 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.82 10.62 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -177.36 -175.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 48.9 m -55.39 102.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -109.84 131.66 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.448 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.99 150.04 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.7 mt -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -133.25 145.8 50.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 p -52.87 128.3 26.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.23 -38.72 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.36 137.15 29.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -91.23 155.71 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -133.52 108.69 8.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -102.98 106.53 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 101' ' ' LEU . 12.9 m-30 -92.31 97.03 10.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 97.92 -95.87 1.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.26 57.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -179.1 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -101.25 119.52 38.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.583 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.1 t -123.92 147.09 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.54 ' CZ ' HD22 ' A' ' 52' ' ' LEU . 24.1 m-85 -139.45 150.68 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.27 118.69 34.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.496 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 2.7 t80 -86.87 135.92 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 23.6 t -134.42 147.59 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -114.77 103.2 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.502 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -8.24 19.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -60.47 -46.55 89.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.47 -135.42 8.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 125.18 9.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.67 -56.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.989 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.43 158.48 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.95 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -116.68 159.58 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.38 83.36 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.99 133.74 2.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -133.93 147.85 51.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -81.27 88.41 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.75 -144.19 12.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.63 20.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.04 24.6 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -152.62 43.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.5 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 90.2 mt -121.36 150.76 55.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.04 137.86 22.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD2' HD22 ' A' ' 30' ' ' LEU . 49.6 p90 -134.44 168.42 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 16.8 mt -120.18 109.0 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 8.0 p -92.59 102.62 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 22.0 tt0 -44.51 135.4 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 11.1 mt -118.96 164.77 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.29 172.34 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.72 -3.38 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.58 38.96 11.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.5 p -124.21 162.8 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.28 113.19 24.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.49 167.16 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.84 51.49 2.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.24 -171.65 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -98.31 109.79 53.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.406 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.95 162.53 37.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 152.53 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.56 HD22 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.37 161.28 31.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 44.1 m-85 -155.38 102.01 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -69.58 117.77 11.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.31 79.9 9.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -54.31 166.96 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -73.56 103.87 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.515 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 96.9 p 172.44 -134.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.47 104.65 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m -98.64 101.63 13.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -83.47 125.17 31.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.2 t -101.85 151.25 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.38 -139.56 9.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.9 p -118.91 8.22 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 0.809 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -105.47 173.05 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.22 140.43 52.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -138.71 -62.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -101.09 165.9 11.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.94 -41.58 97.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -103.68 62.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p -101.5 164.39 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.1 mt -101.57 117.58 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -112.98 98.83 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.3 mt -103.17 147.07 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -129.48 117.29 20.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.12 162.85 33.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 102.65 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 114.86 20.53 5.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.21 152.73 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 2.0 mm-40 -115.75 177.59 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -98.33 75.37 2.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 2.5 t60 -63.24 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.9 p -154.91 171.08 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -124.88 112.24 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mt -85.14 95.17 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.5 m -100.22 147.77 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -114.05 107.4 15.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.25 98.44 6.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.5 OUTLIER 65.97 75.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.48 30.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' ASP . 51.1 t -136.25 131.11 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 72' ' ' THR . 7.7 t -120.75 138.8 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.406 ' N ' HG13 ' A' ' 71' ' ' VAL . 21.5 p -133.74 120.77 20.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.5 p -66.75 123.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.8 m -121.7 104.85 38.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.02 115.96 4.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -90.28 -1.71 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -131.72 131.53 43.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mtt -76.3 -23.99 54.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.33 -30.44 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . . . -66.93 102.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.557 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.1 mt-10 -74.83 117.71 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.427 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 2.1 m -127.63 105.57 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 23.4 m-85 -107.71 116.57 32.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.3 t -87.72 91.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.9 t0 79.76 26.75 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.21 7.44 62.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.86 114.94 26.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -69.09 152.12 45.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 75' ' ' PRO . 6.4 pt -120.69 153.1 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 32.1 t -121.96 -4.22 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 90' ' ' SER . 36.7 mt-10 -158.98 -173.6 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.8 m -58.92 105.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -110.48 136.36 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 15.3 ttm -65.0 153.7 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.402 ' HA ' ' CE ' ' A' ' 99' ' ' MET . 81.3 mt -119.21 146.16 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -134.04 132.59 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -42.45 132.36 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.83 -31.01 9.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 95' ' ' LEU . 1.4 mtm -59.16 138.6 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 158.05 17.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -134.25 107.02 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.467 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 13.6 tt0 -101.37 115.49 30.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 96.1 m-85 -109.9 101.2 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.68 35.44 51.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.467 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 20.6 p 37.74 52.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t -156.44 -54.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -93.12 98.72 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.7 t -101.85 133.57 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 17.7 m-85 -136.56 156.67 48.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.1 121.26 40.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 3.5 t80 -89.69 136.49 33.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 25.1 t -134.86 150.79 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -119.94 102.5 46.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -18.64 18.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -61.71 -50.49 72.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.55 144.03 8.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 114.03 3.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -147.58 104.47 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 51.86 100.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -55.54 130.26 42.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.754 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -135.06 95.49 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.82 151.51 8.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.61 135.25 4.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.94 89.19 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.81 95.75 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.46 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -74.15 58.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.55 -39.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -68.36 153.0 96.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 134.98 18.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD1' HD23 ' A' ' 30' ' ' LEU . 50.6 p90 -125.32 168.91 12.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 27.5 mt -119.35 112.23 19.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 10.0 p -96.37 105.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 23.8 tt0 -48.47 138.4 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 13.4 mt -121.64 165.43 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.88 174.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.783 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -14.55 12.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.51 6.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 t -124.08 163.44 21.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.014 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -94.18 98.9 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -59.89 177.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -86.04 52.35 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.52 177.48 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -94.14 113.93 61.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.29 42.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.52 153.64 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.546 HD23 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -122.63 132.2 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -119.06 77.71 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.454 ' NH1' ' CD2' ' A' ' 30' ' ' LEU . 1.7 mmt-85 -51.54 128.92 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' GLN . 18.3 mt -90.91 62.03 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 25.7 mt-30 -37.04 143.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.8 mt -39.81 158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 84.62 164.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 11.5 p -68.9 136.71 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.6 m -120.01 108.71 14.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 119.82 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.467 ' CG2' HD21 ' A' ' 64' ' ' LEU . 58.0 t -96.08 167.68 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . 123.05 -154.93 17.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 52' ' ' LEU . 80.9 p -105.69 -7.28 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.517 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -87.78 148.87 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 101.85 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 43' ' ' GLU . 26.0 m-85 -91.34 -69.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -98.61 173.82 6.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -40.39 69.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -106.71 63.77 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.3 p -106.51 -173.61 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.0 mt -114.57 119.19 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -109.65 112.66 24.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 42' ' ' THR . 75.6 mt -115.29 140.12 49.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.423 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 7.7 m-85 -124.97 112.67 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.63 159.75 28.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.12 8.56 9.4 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.5 mm -84.72 152.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -111.67 176.59 1.45 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -53.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.464 ' CE1' ' CE2' ' A' ' 45' ' ' PHE . 1.7 t-160 -106.5 78.84 1.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 2.3 t60 -67.64 -68.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.8 p -153.47 174.12 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -130.05 117.67 20.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -84.84 111.37 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.4 m -105.55 112.91 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' HD2' ' A' ' 12' ' ' PRO . 52.0 t-20 -90.91 107.24 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mmt -117.95 114.15 22.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 54.81 25.61 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.42 -24.59 31.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.44 138.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 0.781 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.47 HG21 ' CG ' ' A' ' 12' ' ' PRO . 24.9 t -123.26 144.74 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.9 p -137.67 120.81 16.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.8 p -73.19 126.21 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.0 m -128.77 107.51 18.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.99 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 -22.84 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -129.58 142.12 50.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -46.49 56.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.45 -34.87 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.537 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . . . -71.45 104.83 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.04 122.47 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.233 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -127.2 100.81 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 88' ' ' ARG . 37.7 m-85 -98.65 115.49 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 89.2 t -86.76 91.55 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.7 t0 79.21 25.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.34 22.86 28.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -132.11 110.87 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 ttm180 -69.51 144.03 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.412 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 13.4 pt -108.33 168.98 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -136.27 10.7 3.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -176.97 -178.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.8 m -51.14 104.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.437 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -112.9 125.01 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.446 ' CE ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.9 146.28 42.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.446 ' O ' ' CE ' ' A' ' 94' ' ' MET . 83.2 mt -112.95 144.39 42.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -127.52 143.87 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 p -51.28 128.3 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.26 -34.43 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.82 140.47 30.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.0 147.96 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.565 HD22 ' CZ ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -122.52 107.15 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.45 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.4 tt0 -102.44 116.4 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CZ ' HD22 ' A' ' 101' ' ' LEU . 97.7 m-85 -107.9 106.81 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.23 37.23 94.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.45 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 1.7 t 37.99 53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.8 m -152.14 -47.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.423 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 12.0 m-70 -103.46 113.36 26.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.8 t -112.63 134.27 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 29.1 m-85 -142.25 142.03 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.415 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -104.7 111.92 24.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.7 t80 -80.04 132.7 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.7 t -132.47 153.54 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.97 101.45 45.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -9.57 20.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.6 t -61.36 -48.37 81.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 110.33 144.31 10.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.11 16.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.22 146.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 t -175.6 130.99 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.15 116.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.22 147.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.86 -73.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -94.09 161.67 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -132.31 109.37 9.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.64 119.99 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -75.04 -14.25 21.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -102.55 38.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.35 23.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 1.0 OUTLIER -129.96 158.11 74.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.3 Cg_endo -74.97 133.99 17.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.583 ' CD1' HD21 ' A' ' 30' ' ' LEU . 51.6 p90 -130.06 164.54 24.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD22 ' CA ' ' A' ' 111' ' ' PHE . 11.8 mt -109.65 146.24 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 110' ' ' LYS . 13.5 p -133.03 107.49 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.519 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 21.8 tt0 -50.91 135.2 24.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -120.66 164.98 15.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -56.08 173.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.99 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 -13.25 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.09 5.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -124.2 163.21 22.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -95.58 100.02 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -177.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.29 14.68 13.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -124.99 146.69 49.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -65.66 112.44 8.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.6 41.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.24 155.22 40.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.2 131.5 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE2' HD23 ' A' ' 52' ' ' LEU . 2.8 m-85 -119.84 83.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.486 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.54 136.0 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' GLN . 12.9 mt -95.11 57.83 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . 28.0 mt-30 -36.7 144.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -39.93 158.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 85.85 163.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 12.4 p -67.56 127.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -111.29 109.25 19.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' OE1' ' CD2' ' A' ' 60' ' ' HIS . 2.4 mt-10 -71.25 132.35 44.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.456 HG11 ' CG2' ' A' ' 50' ' ' ILE . 61.0 t -110.57 155.51 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.76 -157.0 21.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 52' ' ' LEU . 66.2 p -105.06 20.87 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.537 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -114.6 169.62 8.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -124.51 114.65 19.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 43' ' ' GLU . 90.3 m-85 -114.56 -59.98 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.98 162.96 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -58.17 -46.44 85.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -115.64 64.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.6 p -92.29 179.95 5.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' HG11 ' A' ' 40' ' ' VAL . 29.0 mt -100.56 115.26 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.0 105.28 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.556 HD23 ' CE2' ' A' ' 31' ' ' TYR . 48.7 mt -108.46 155.58 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -140.14 116.69 10.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.79 160.52 31.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.01 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 122.2 8.09 7.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.2 mm -88.87 152.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 2.2 mm-40 -112.67 174.14 2.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.6 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.461 ' CE1' ' CB ' ' A' ' 76' ' ' ARG . 18.4 t-160 -103.76 77.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 80' ' ' ALA . 2.6 t60 -69.41 -68.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.614 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.4 p -154.36 173.05 16.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.5 OUTLIER -131.04 115.51 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -84.7 109.11 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 84.9 m -105.37 114.56 28.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -89.01 105.89 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.432 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 4.3 mmt -119.47 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.474 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.31 71.43 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.44 28.05 1.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 68' ' ' ASP . 48.9 t -132.5 139.76 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.8 t -130.23 145.8 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.415 ' CG2' ' HG2' ' A' ' 94' ' ' MET . 20.3 p -136.9 119.69 16.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.7 p -67.34 125.91 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.1 m -127.85 104.01 21.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.439 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.02 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 60' ' ' HIS . 23.7 mmm-85 -113.51 23.36 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -129.86 127.92 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.414 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -82.7 60.46 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.2 m-20 171.24 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.478 ' HB3' ' CG ' ' A' ' 61' ' ' HIS . . . -60.53 103.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 10.4 mm-40 -77.32 125.78 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -128.5 107.66 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 51.2 m-85 -108.68 113.61 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 84.1 t -89.68 91.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.5 t0 78.94 28.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.64 54.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -125.48 113.12 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 7.7 ttt-85 -71.84 131.31 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.439 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 6.9 pt -94.15 165.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -134.15 9.34 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -178.94 -175.11 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.9 m -51.19 103.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -112.94 117.02 30.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.415 ' HG2' ' CG2' ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.15 145.64 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.7 mt -111.96 146.44 37.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -131.91 146.25 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 p -54.72 127.24 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.09 -28.37 13.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.45 141.58 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -89.03 154.45 20.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.571 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -129.16 107.1 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' A' ' 83' ' ' TYR . 26.3 tt0 -96.1 131.43 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CZ ' HD23 ' A' ' 101' ' ' LEU . 90.2 m-85 -129.01 85.78 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 80.29 40.53 13.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 105' ' ' THR . 3.6 t 35.9 41.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 -51.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -97.15 103.52 15.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.5 t -110.99 126.39 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 14.6 m-85 -134.98 142.96 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -101.62 120.13 39.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.9 t80 -81.84 138.75 35.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.423 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 25.4 t -132.45 150.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -124.0 104.0 33.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -24.42 12.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t -46.48 -53.82 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.8 143.55 11.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.89 6.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.9 t -154.25 143.61 21.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.48 152.08 51.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -117.49 -58.32 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.33 100.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.12 132.26 4.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.16 169.09 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 0.744 . . . . 0.0 110.035 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.47 98.41 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.54 66.64 2.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -21.52 15.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.72 3.25 33.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.43 59.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 19.5 mt -102.69 154.89 37.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' CG ' HG21 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.03 139.26 23.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' HD23 ' A' ' 30' ' ' LEU . 48.7 p90 -136.11 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.6 mt -117.9 109.74 16.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 9.3 p -92.57 101.86 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.8 tt0 -42.86 136.22 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 9.5 mt -117.63 165.43 13.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 171.97 1.92 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 0.24 9.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.16 2.59 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.65 46.34 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 m -122.58 163.55 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.023 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -131.08 -179.09 5.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t 69.96 -167.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 63.44 15.54 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 167.66 -175.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -103.44 106.96 54.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 131.48 14.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.456 1.766 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.48 152.17 46.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.549 HD23 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.88 146.23 52.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -136.76 96.75 3.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -69.29 116.65 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -81.89 91.47 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 26.7 mt-30 -71.63 154.16 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.1 mt -39.77 157.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 86.01 166.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 63' ' ' ASP . 10.5 p -71.87 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.3 m -120.39 104.54 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 10.9 mp0 -71.1 145.52 49.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 62' ' ' CYS . 24.6 t -120.77 168.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.95 -142.84 13.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.3 p -116.58 9.53 14.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.67 167.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.24 108.57 13.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -99.97 -63.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.07 -167.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.07 -38.68 17.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -115.46 59.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.9 p -89.84 166.34 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 31.2 mt -94.48 124.12 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.84 104.69 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' PHE . 32.6 mt -107.68 162.73 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 9.0 m-85 -146.01 114.73 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.05 160.8 33.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.94 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.437 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 116.16 14.59 7.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -97.95 152.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.493 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.9 mm-40 -115.86 177.85 1.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 5.1 t-160 -101.96 77.25 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.61 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.3 t60 -65.54 -69.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.598 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 40' ' ' VAL . 15.5 p -154.2 176.54 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.473 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -131.53 125.32 32.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -91.87 116.04 28.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.6 m -110.83 114.09 27.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -92.19 120.51 32.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.568 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -118.62 95.12 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.5 7.65 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.14 -28.67 4.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 67' ' ' MET . 14.8 p -72.93 131.84 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.472 HG21 ' CG ' ' A' ' 12' ' ' PRO . 42.4 t -117.31 140.53 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.5 p -134.6 121.12 20.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.441 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.52 123.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.8 m -122.97 105.71 34.57 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 129.82 12.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -125.62 29.55 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.18 132.14 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.75 61.71 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' MET . 8.4 m-20 169.42 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.48 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -61.98 115.87 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mm-40 -89.78 127.9 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.6 m -128.2 102.42 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.623 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 70.1 m-85 -107.04 112.62 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 76.0 t -91.53 91.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 9.8 t0 82.91 33.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.85 18.62 69.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -127.31 112.48 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -66.51 152.76 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.405 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 10.4 pt -119.37 153.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.54 -5.89 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -156.93 -174.15 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 71.4 m -56.05 104.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.8 m -109.57 127.32 54.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.2 ttp -60.78 156.9 16.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.5 mt -121.41 146.03 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -129.53 147.42 51.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -57.17 125.23 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.73 -36.69 4.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.59 146.35 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.436 ' NH2' ' OE1' ' A' ' 102' ' ' GLN . 0.7 OUTLIER -89.19 153.06 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -123.16 116.75 23.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' OE1' ' NH2' ' A' ' 100' ' ' ARG . 2.7 tt0 -107.9 125.33 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 84.7 m-85 -127.61 79.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.81 30.44 10.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.069 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.3 p 39.43 41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 p -142.71 -47.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -104.74 95.86 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.617 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 38.5 t -93.03 129.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 16.4 m-85 -125.23 173.15 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -133.56 118.28 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.486 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 3.8 t80 -84.44 134.61 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.0 t -134.53 146.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.47 104.88 51.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.06 -8.94 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -47.43 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.42 144.84 14.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 89.08 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.7 p -143.09 161.92 36.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.65 81.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p -140.92 141.03 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 p -128.97 97.13 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.88 -142.21 6.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -59.03 168.58 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -171.79 92.73 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.79 126.29 0.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.57 16.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.73 27.72 2.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' CD ' ' HA ' ' A' ' 115' ' ' SER . 3.9 mttm -156.11 45.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 89.3 mt -118.49 148.06 43.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.57 21.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CD1' HD22 ' A' ' 30' ' ' LEU . 40.4 p90 -140.67 162.8 34.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -110.07 123.29 49.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' LYS . 11.6 p -103.82 121.32 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -51.12 126.86 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 5.4 mt -113.71 162.07 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.45 170.87 1.99 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -111.09 -17.09 13.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.43 41.87 2.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 p -123.41 158.16 31.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' CG ' ' CD2' ' A' ' 17' ' ' LEU . 1.1 m-20 -112.01 122.04 46.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.83 -157.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 65.05 72.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.1 t0 50.38 -175.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 112.5 8.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 160.43 40.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 152.24 46.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.22 160.93 33.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -149.44 99.57 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 133.7 42.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 mt -100.71 106.37 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -81.58 158.31 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 66' ' ' ASN . 16.6 mt -47.99 171.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m 78.14 -150.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 63' ' ' ASP . 49.0 t -106.73 150.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 m -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.65 114.4 9.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.28 167.84 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.85 -135.37 8.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.8 p -122.88 8.56 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 157.7 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -110.32 111.57 22.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -104.72 -55.27 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -177.1 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.18 -38.81 50.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -95.46 48.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.4 p -105.11 152.26 23.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 48.0 mt -93.62 128.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.99 99.02 6.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt -107.02 164.74 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -144.34 117.65 9.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.65 35.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.442 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 113.44 21.85 5.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.5 mm -103.66 152.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.532 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.1 mm-40 -117.11 179.83 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -105.39 76.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 80' ' ' ALA . 3.4 t60 -59.89 -60.12 4.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.5 178.4 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.475 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -132.91 121.17 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -90.33 114.64 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.5 m -113.43 121.19 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.411 ' HB3' ' CD2' ' A' ' 35' ' ' LEU . 33.9 t-20 -96.05 105.97 18.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.158 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -119.54 97.55 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 13.2 m-20 67.48 66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.1 30.43 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 68' ' ' ASP . 61.7 t -131.79 133.42 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.31 141.81 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.7 p -137.33 119.17 15.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 93' ' ' THR . 2.3 p -68.85 115.83 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.478 ' OG1' ' CG2' ' A' ' 92' ' ' THR . 58.8 m -117.79 105.28 47.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -114.49 29.51 7.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.72 122.74 27.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.415 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.1 tpt -77.92 60.5 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.22 -32.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.534 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . . . -64.0 112.94 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 24.7 mm-40 -86.13 129.65 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.8 m -128.82 106.05 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 52.5 m-85 -108.31 115.51 30.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 80.5 t -96.16 91.63 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.6 t0 79.21 33.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.61 26.32 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -133.3 113.45 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' CD ' ' OE1' ' A' ' 81' ' ' GLU . 7.6 ttt-85 -71.42 139.47 49.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.2 pt -108.15 150.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.65 -14.05 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -143.13 -175.06 4.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.478 ' CG2' ' OG1' ' A' ' 74' ' ' THR . 85.6 m -59.15 105.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 73' ' ' VAL . 21.2 m -104.56 134.23 48.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 32.6 ttm -66.6 155.23 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 65.5 mt -118.64 140.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.89 142.27 47.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.45 132.32 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.43 -49.05 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -38.52 138.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -89.29 155.4 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.586 HD23 ' CZ ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -131.51 106.83 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' OE1' ' CG2' ' A' ' 108' ' ' VAL . 6.6 tt0 -100.35 123.99 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.586 ' CZ ' HD23 ' A' ' 101' ' ' LEU . 90.7 m-85 -120.07 78.05 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 98.03 35.83 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.422 HG23 ' CE2' ' A' ' 83' ' ' TYR . 6.1 p 36.31 36.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 p -133.25 -57.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 78.0 m-70 -97.88 108.14 20.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.456 ' CG2' ' OE1' ' A' ' 102' ' ' GLN . 38.0 t -106.01 121.75 58.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 62.8 m-85 -121.62 164.73 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 9.1 tttt -119.64 120.63 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.494 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 7.3 t80 -78.27 134.03 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.493 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 54.2 t -135.27 147.2 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -113.61 96.33 40.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -7.0 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.448 ' HA ' ' CD ' ' A' ' 10' ' ' LYS . 13.0 t -63.8 -39.21 93.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.51 138.19 9.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.55 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.6 p -117.57 149.18 41.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.958 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.9 m -103.73 145.64 29.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -88.88 125.91 35.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -169.11 136.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.98 -148.99 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.54 -52.8 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.959 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.18 -76.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.93 123.25 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.68 5.99 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 10' ' ' LYS . 2.8 pt-20 -86.99 45.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 3.5 mttt -166.23 34.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 90.3 mt -103.95 144.15 28.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.5 Cg_endo -74.93 144.73 30.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.629 ' CD1' HG12 ' A' ' 112' ' ' VAL . 22.7 p90 -140.09 163.41 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 101' ' ' LEU . 5.2 mt -110.82 111.22 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 110' ' ' LYS . 7.4 p -94.93 108.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.0 tt0 -48.71 137.05 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -118.94 166.49 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -67.56 174.25 2.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.955 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -74.99 0.43 8.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.34 -19.14 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.02 41.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t -124.06 162.65 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.15 135.03 41.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -96.65 46.28 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 39.47 36.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.92 175.09 10.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.41 106.08 52.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.0 166.3 29.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 155.61 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -128.75 156.86 42.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 25.2 m-85 -148.16 104.45 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 123.27 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.8 mt -82.51 75.1 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' LEU . 17.1 mt-30 -56.98 153.27 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.2 mt -39.37 157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER 86.39 162.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 63' ' ' ASP . 13.4 p -70.91 142.28 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 m -126.46 103.99 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -75.92 128.97 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.443 ' CG2' ' CD2' ' A' ' 64' ' ' LEU . 48.3 t -103.78 167.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.66 -140.56 11.86 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.0 p -115.49 -3.48 12.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.366 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 155.33 18.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.9 134.88 54.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -120.53 -38.18 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . 18.4 m-20 -176.77 126.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 3.6 m-20 -40.48 105.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 3.6 m-20 153.4 -21.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 p -81.61 178.87 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 91.4 mt -98.75 145.95 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -135.13 98.93 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.6 mt -104.27 148.49 26.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.31 112.57 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.67 161.03 30.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.42 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.8 4.38 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm -85.23 152.71 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.1 mm-40 -113.9 177.74 1.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.1 Cg_endo -75.03 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -98.45 75.61 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 80' ' ' ALA . 2.6 t60 -64.0 -71.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.0 p -149.09 173.5 13.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.46 123.52 29.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.443 ' CD2' ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -93.33 117.24 29.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -113.73 121.02 42.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -91.66 106.71 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.48 105.91 12.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 67.64 23.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.77 -28.55 14.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -75.81 149.89 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.522 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 54.2 t -128.18 146.62 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.6 p -134.95 123.3 23.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.0 p -73.55 125.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.5 m -124.78 104.92 30.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.03 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.51 27.98 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.66 122.78 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -80.13 61.4 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.069 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.6 -32.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.552 ' HB3' ' CE1' ' A' ' 61' ' ' HIS . . . -59.74 123.35 16.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 65.6 mt-10 -98.38 117.62 33.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -127.18 108.49 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 43.3 m-85 -108.76 119.81 40.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 97.2 t -88.2 91.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.1 t0 81.97 28.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.97 10.79 66.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -118.94 115.84 25.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.4 ttt180 -70.17 152.68 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.414 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 7.4 pt -114.47 171.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.12 15.22 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 179.22 -176.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -57.44 103.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.4 m -111.57 132.05 54.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.42 ' CE ' ' HG3' ' A' ' 96' ' ' GLN . 2.5 ttp -62.08 144.71 54.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 mt -110.24 147.48 33.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 5.6 mt-30 -127.28 151.79 48.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -63.48 128.26 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.7 -28.94 13.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.91 142.84 33.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -90.95 161.18 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.548 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -140.72 106.87 5.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.475 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.1 tt0 -99.83 109.29 21.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 98.3 m-85 -100.73 107.27 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 61.8 37.29 94.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.475 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 7.2 t 36.18 53.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -146.84 -55.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -106.29 110.81 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.4 t -103.77 132.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.6 m-85 -132.08 164.32 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.468 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -125.75 117.65 23.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.522 ' CE2' ' HB ' ' A' ' 71' ' ' VAL . 3.3 t80 -79.14 138.13 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.629 HG12 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -136.24 154.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.52 ' N ' HG23 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -136.57 102.26 9.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.464 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -7.76 19.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 p -62.56 -34.88 77.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.36 140.09 7.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.12 15.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.3 p 176.86 97.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 m -127.37 142.27 51.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -123.92 92.14 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.26 107.24 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.04 -162.31 11.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -74.76 -179.92 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.018 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.03 -70.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.97 120.21 0.53 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -20.38 16.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.7 10.71 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 115' ' ' SER . 7.8 mtmt -140.55 51.41 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 16.5 mt -109.17 134.59 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.03 137.45 21.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' CZ ' ' HB ' ' A' ' 112' ' ' VAL . 49.9 p90 -132.96 166.05 23.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 15.1 mt -118.18 112.0 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 ' CG1' ' HD2' ' A' ' 110' ' ' LYS . 7.2 p -92.63 101.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.7 tt0 -42.48 134.41 3.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 11.6 mt -120.03 164.12 16.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.69 172.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.5 8.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.7 10.13 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.66 44.24 40.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 p -124.06 163.65 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.78 114.06 25.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 m -57.42 169.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -88.5 43.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -164.89 172.61 12.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 27' ' ' LYS . 18.3 pttt -66.23 114.19 15.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 155.28 42.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HD3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.68 139.24 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -120.78 141.89 50.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE2' ' HD3' ' A' ' 29' ' ' LYS . 13.9 m-85 -135.03 95.9 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 126.25 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.2 mt -88.74 95.43 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -66.08 -179.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.593 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -69.67 160.15 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 86.1 160.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 63' ' ' ASP . 14.5 p -67.46 125.03 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.7 m -113.95 108.33 16.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.09 123.9 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG12 ' CG2' ' A' ' 50' ' ' ILE . 40.0 t -97.05 150.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' N ' HG11 ' A' ' 40' ' ' VAL . . . 147.69 -151.51 23.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.4 p -102.16 -19.08 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 59' ' ' PRO . 6.1 mm-40 -94.16 156.28 16.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.33 108.13 18.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.54 -56.56 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -87.22 171.44 10.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -52.11 65.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -112.4 63.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -92.68 143.53 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.447 ' CG2' HG12 ' A' ' 40' ' ' VAL . 96.3 mt -70.17 130.45 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 51.0 tt0 -120.07 106.14 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 mt -110.97 162.08 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 16.7 m-85 -137.1 120.25 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.72 155.94 27.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 93.69 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.07 -0.62 7.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.28 152.47 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -113.1 175.72 1.75 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.99 -54.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.407 ' O ' ' OG ' ' A' ' 77' ' ' SER . 10.9 t-160 -103.76 77.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 2.7 t60 -67.38 -61.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.3 p -165.63 173.31 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.4 OUTLIER -121.64 147.02 46.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD13 ' CG2' ' A' ' 40' ' ' VAL . 2.3 mt -121.95 102.91 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -96.6 118.11 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -94.54 106.99 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 mmt -118.45 100.65 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 19.53 10.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -18.58 44.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.71 134.73 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.5 t -131.69 137.67 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 94' ' ' MET . 13.6 p -135.45 119.89 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.14 130.47 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -129.77 104.77 17.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.67 8.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -124.25 29.37 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -132.88 119.44 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.62 58.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t70 177.36 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.435 ' HB1' ' CG ' ' A' ' 58' ' ' GLN . . . -65.89 119.72 11.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.602 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.1 mt-10 -90.11 127.43 36.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -128.21 101.67 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 87.2 m-85 -105.63 120.4 41.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.543 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 67.6 t -97.94 92.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 18.6 t0 76.83 39.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.66 29.6 57.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -140.31 113.38 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -70.08 151.54 45.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.5 pt -119.66 151.65 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -114.82 -15.78 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -143.01 -178.18 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.8 m -55.45 107.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.3 m -108.94 123.28 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.469 ' HA ' ' CG2' ' A' ' 72' ' ' THR . 5.3 ttm -54.39 144.86 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.2 mt -106.07 154.32 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -138.44 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -74.17 128.12 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' MET . . . 100.28 -35.21 4.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.543 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 2.3 ttt -36.94 144.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -98.98 123.78 43.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -98.69 115.49 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.407 ' HB3' ' HB2' ' A' ' 83' ' ' TYR . 9.0 tt0 -108.54 107.98 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 85.4 m-85 -109.28 83.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 85.53 31.24 22.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' GLY . 7.1 p 37.94 32.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 104' ' ' GLY . 1.4 t -126.4 -43.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.8 t -95.69 133.88 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -129.99 164.94 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.446 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -129.61 115.37 17.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.3 t80 -82.66 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 8.9 t -130.52 137.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.39 105.15 53.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -3.82 14.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.813 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.456 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 43.2 t -66.17 -54.96 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.28 144.04 13.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 93.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.6 t -114.99 136.02 53.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.87 114.23 8.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -110.16 -58.26 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.51 110.87 11.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.67 -133.71 1.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -121.39 147.99 44.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 109.967 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 178.72 85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.44 84.49 0.89 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -4.9 41.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -103.08 35.69 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 72.2 mt -97.99 148.66 34.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.631 ' CD1' HG11 ' A' ' 112' ' ' VAL . 26.3 p90 -141.02 166.47 24.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 101' ' ' LEU . 5.9 mt -111.08 110.28 20.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 7.0 p -93.92 103.44 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -44.33 128.27 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.56 161.79 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -58.08 175.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -19.21 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.28 36.06 4.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.1 m -124.16 163.84 20.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 110.045 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.92 97.65 10.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.7 p -53.59 174.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -87.13 54.77 3.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.78 -178.57 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 107.86 54.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.84 36.53 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.09 44.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.1 142.84 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 50.7 m-85 -133.96 100.28 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -71.47 125.91 28.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.27 79.39 9.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' LEU . 52.8 mt-30 -61.43 156.54 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 11.8 mt -39.63 156.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.31 159.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.9 p -67.4 150.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -135.21 104.77 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.441 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 131.47 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 t -107.42 165.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 134.51 -140.47 11.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.7 p -117.25 -11.12 10.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.433 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -74.77 157.7 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -107.45 116.78 32.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 79.6 m-85 -117.49 -38.02 3.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' SER . 1.6 t70 -172.95 145.58 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -46.97 -31.8 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -69.74 -41.59 75.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ASP . 47.2 m -53.29 153.02 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -87.36 150.34 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -134.92 98.6 4.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -104.69 140.06 38.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -118.31 122.27 42.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.22 155.85 26.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.762 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.39 -7.25 5.0 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.4 mm -72.59 147.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -107.67 176.02 1.78 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.94 -55.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.473 ' CD2' ' HB2' ' A' ' 76' ' ' ARG . 8.9 t-160 -101.85 76.44 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 80' ' ' ALA . 2.7 t60 -67.45 -68.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -156.64 177.5 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -128.94 145.32 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mt -118.39 109.21 15.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.5 m -107.9 124.95 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -90.77 111.0 22.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.4 mmt -118.23 102.28 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.34 26.94 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.66 -27.5 19.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 71' ' ' VAL . 39.6 t -76.47 145.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.412 ' N ' HG11 ' A' ' 70' ' ' VAL . 54.5 t -130.41 145.03 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 p -133.43 119.14 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 110.4 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 p -71.45 124.59 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.8 m -124.9 103.94 30.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 121.31 6.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 30.0 mmt180 -116.92 35.28 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.51 144.19 49.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 7.9 ptp -96.15 59.8 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 78' ' ' MET . 11.0 m-20 164.67 -27.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.527 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . . . -59.33 104.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.536 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.2 mp0 -83.28 118.13 23.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 97.1 m -125.19 102.15 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 88' ' ' ARG . 33.7 m-85 -101.46 113.34 26.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 70.0 t -85.98 91.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.3 t0 77.46 30.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.91 60.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -123.01 112.65 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HB2' ' CD1' ' A' ' 83' ' ' TYR . 5.1 ttt-85 -74.95 127.6 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 pt -91.82 166.51 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 11.69 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 179.17 -175.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.7 m -50.2 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.2 m -114.37 120.32 39.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 43.9 ttm -56.18 138.35 50.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.6 mt -105.7 149.42 26.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -130.85 136.3 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -45.82 131.27 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.49 -36.18 4.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -52.18 141.97 17.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -90.27 165.11 14.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.572 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -143.67 110.75 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -105.21 106.21 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CZ ' HD21 ' A' ' 101' ' ' LEU . 97.0 m-85 -93.12 103.49 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.91 -93.72 1.91 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 177.23 57.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t -174.04 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -99.33 123.37 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.6 t -129.58 118.28 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -113.94 174.17 6.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -133.79 117.74 17.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.7 t80 -79.84 141.68 35.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -137.89 154.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.503 ' N ' HG22 ' A' ' 112' ' ' VAL . 1.9 t70 -135.24 98.73 12.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.472 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.05 -2.21 12.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -38.09 86.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.956 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 81.85 140.79 3.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 175.53 11.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.1 t -148.21 -61.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t -72.14 -57.54 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 p -124.81 144.59 50.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.7 155.04 18.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.0 -111.51 3.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -139.61 161.86 36.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -118.03 101.12 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.944 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.13 93.71 0.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.21 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -71.26 -5.28 31.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -105.91 39.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 67.3 mt -108.47 142.31 25.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD1' HD21 ' A' ' 30' ' ' LEU . 48.1 p90 -129.11 168.29 16.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt -117.12 111.08 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 8.0 p -92.19 103.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.9 tt0 -46.03 131.65 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 10.3 mt -116.94 161.9 18.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -49.34 176.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.02 -4.54 15.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.45 -15.67 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 39.24 3.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t -124.12 164.11 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -83.17 104.29 13.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.3 p -53.3 173.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.69 49.58 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' O ' ' HD3' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -175.71 165.27 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -65.68 111.87 7.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 26' ' ' ASP . 18.4 Cg_endo -75.04 157.52 42.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 152.07 46.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.48 161.5 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -155.69 97.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 136.01 46.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.6 mt -97.11 79.91 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -46.81 154.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 16.6 mt -50.3 168.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.65 -146.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 t -103.26 135.54 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.7 m -129.1 94.61 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.7 130.36 36.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.0 t -100.48 167.56 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.95 -153.6 20.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.6 p -107.35 18.79 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.413 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.42 161.01 19.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -125.52 104.29 8.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.36 -43.07 15.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -174.9 131.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.7 m-20 -40.17 106.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.8 m-20 154.79 -23.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.94 -177.9 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.1 mt -107.93 147.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -129.8 98.7 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -102.9 154.36 19.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -134.21 118.27 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.99 161.9 32.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.84 -1.55 6.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 18.7 mm -83.6 152.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.522 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -115.7 179.24 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.99 -60.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -102.15 76.74 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.427 ' CD2' ' OG1' ' A' ' 82' ' ' THR . 3.1 t60 -61.3 -72.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.15 158.35 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -98.25 151.72 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt -130.22 90.17 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -92.5 121.34 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -97.52 116.87 30.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.56 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 40.1 mmm -118.81 95.58 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.39 5.61 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 125.4 -24.37 5.89 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.56 ' CG1' ' HB2' ' A' ' 67' ' ' MET . 13.8 p -73.81 135.69 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 ' CG ' ' A' ' 12' ' ' PRO . 25.1 t -127.48 138.99 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.448 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 3.7 p -129.86 123.33 30.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.0 p -82.13 120.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.6 m -120.34 106.14 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.87 3.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -86.39 -16.78 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -128.82 136.77 50.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 ttt -71.32 -41.67 69.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.92 -40.66 66.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 97.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -73.36 112.83 9.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.427 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 23.0 m -121.2 108.72 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 55.7 m-85 -113.91 121.04 42.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 59.5 t -97.76 91.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.6 t0 82.4 38.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.98 17.48 80.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -126.85 117.59 22.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.1 ttt180 -72.44 153.61 41.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.7 pt -120.81 152.37 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -18.2 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -142.56 -175.94 4.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.234 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.448 ' CG2' ' HB ' ' A' ' 72' ' ' THR . 20.0 m -55.8 108.87 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.4 m -112.64 123.26 49.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 10.1 ttp -61.29 140.02 58.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.424 ' CD2' HG23 ' A' ' 84' ' ' VAL . 69.2 mt -104.87 149.35 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -131.34 169.04 16.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -73.19 130.29 39.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.39 -26.26 25.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.47 142.5 52.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -88.8 157.53 18.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.85 119.59 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -116.54 106.44 13.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.498 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 15.0 m-85 -98.6 85.86 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.57 -96.57 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' A' ' 105' ' ' THR . 0.5 OUTLIER 177.28 57.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 110.409 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 t -175.82 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -99.77 119.8 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.44 136.75 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 41.6 m-85 -130.43 174.85 9.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 112' ' ' VAL . 9.4 tttt -139.61 115.76 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.7 t80 -79.85 136.57 36.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 15.5 t -134.22 151.57 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.32 104.1 43.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.0 m -55.37 -43.49 75.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 102.17 144.47 14.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.96 43.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.81 -59.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.05 79.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.54 145.71 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -164.63 165.45 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.37 142.5 13.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.57 161.07 40.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -128.71 93.82 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.948 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.78 118.64 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -10.94 21.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.65 35.88 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.5 28.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -129.01 154.55 80.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -75.0 134.62 18.03 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CD2' HD21 ' A' ' 30' ' ' LEU . 48.2 p90 -128.8 166.42 19.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD22 ' CA ' ' A' ' 111' ' ' PHE . 35.6 mt -117.53 110.05 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -93.05 106.91 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 21.7 tt0 -47.84 135.53 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 12.0 mt -118.76 163.86 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -55.45 175.08 0.21 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.5 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.02 -14.17 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 38.01 6.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.7 p -123.98 163.56 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -95.53 97.87 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -58.75 175.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.956 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -86.82 54.81 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -158.29 -173.36 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.06 109.51 63.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.17 42.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -68.46 154.19 42.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -121.46 128.48 52.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' CD2' HG23 ' A' ' 50' ' ' ILE . 2.9 m-30 -113.54 77.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.477 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 4.0 mmt180 -52.39 128.92 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' GLN . 18.9 mt -93.0 67.95 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.468 ' OE1' ' CB ' ' A' ' 48' ' ' ASN . 10.3 mt-30 -35.67 147.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 34' ' ' GLN . 6.4 mt -44.47 169.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 36.2 t 66.95 -178.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.22 147.69 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 46.9 m -137.06 105.92 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' HG2' ' CD2' ' A' ' 45' ' ' PHE . 26.0 mp0 -70.07 140.76 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG1' HD12 ' A' ' 52' ' ' LEU . 43.5 t -123.84 153.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 137.73 -146.95 18.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.7 p -110.54 14.59 22.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 110.381 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.54 156.12 23.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -111.55 95.46 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CD2' ' HG2' ' A' ' 39' ' ' GLU . 5.5 m-85 -86.06 -58.02 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.79 169.19 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -33.88 73.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.468 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 52.3 m-20 -118.57 59.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.57 176.32 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 31' ' ' TYR . 80.1 mt -94.55 143.88 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -135.08 99.37 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 31' ' ' TYR . 57.4 mt -99.7 151.53 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -136.03 114.14 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.9 160.81 31.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 96.94 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.08 3.62 8.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.6 mm -82.61 152.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.512 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.61 178.81 0.89 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -59.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -102.76 77.54 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 2.5 t60 -63.53 -68.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.6 p -154.83 178.83 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.87 121.49 20.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.453 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -86.31 108.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.5 m -95.0 105.38 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -90.05 110.92 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.579 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -114.7 96.25 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.16 7.5 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.28 -26.99 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.579 ' CG1' ' HB2' ' A' ' 67' ' ' MET . 14.0 p -73.14 126.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.474 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 16.0 t -113.91 138.03 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.8 p -131.66 119.66 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.424 ' CG1' HD12 ' A' ' 89' ' ' ILE . 6.4 p -74.11 117.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.1 m -115.8 104.33 52.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.433 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.449 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.0 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -116.73 35.15 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.48 149.62 52.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 8.7 ptp -98.5 59.82 1.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' MET . 4.3 m-20 162.34 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.566 ' HB2' ' CD2' ' A' ' 61' ' ' HIS . . . -60.62 103.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 3.8 mp0 -84.35 124.63 31.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -127.94 101.79 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.438 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 57.7 m-85 -101.55 115.45 30.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' CD2' ' A' ' 95' ' ' LEU . 63.1 t -87.88 91.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 22.3 t0 78.27 30.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.37 30.15 22.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -141.13 110.86 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -68.92 144.39 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.449 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 6.4 pt -110.32 156.94 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.1 p -113.99 -21.92 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -142.91 -175.27 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.4 m -53.85 108.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 m -113.85 122.06 45.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 50.9 ttm -59.35 141.08 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 84' ' ' VAL . 76.7 mt -104.26 142.71 34.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 p -57.95 127.52 32.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.84 -36.62 4.24 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.456 ' HE1' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.98 147.58 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.02 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -90.23 165.0 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -135.42 114.62 12.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.457 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 8.5 tt0 -113.82 111.64 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 92.0 m-85 -111.82 84.91 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.41 31.09 12.08 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.457 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 13.0 p 38.83 33.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 m -122.39 -58.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -104.44 122.23 45.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 45.4 t -108.74 139.36 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' LEU . 24.1 m-85 -139.34 160.73 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.16 118.36 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 4.5 t80 -85.16 133.92 34.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' HD3' ' A' ' 110' ' ' LYS . 25.0 t -135.11 144.08 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -111.98 103.41 55.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -22.42 14.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t -47.01 -50.54 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.06 144.14 7.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 70.36 5.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.58 142.26 30.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.52 81.75 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -125.45 89.3 3.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 0.724 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -174.36 149.12 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.23 75.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.147 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.07 -61.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t 48.5 82.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.57 92.43 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.22 13.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.51 23.22 4.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -157.49 51.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 74.8 mt -107.9 148.25 37.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.677 ' CE2' ' CG2' ' A' ' 112' ' ' VAL . 47.5 p90 -137.83 168.03 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 HD22 ' CA ' ' A' ' 111' ' ' PHE . 2.9 mt -117.22 118.28 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' CG1' ' HD2' ' A' ' 110' ' ' LYS . 9.3 p -102.62 108.03 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.9 tt0 -47.5 135.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mt -116.15 163.81 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.29 172.06 0.36 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -110.9 -16.15 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.7 32.67 7.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m -124.07 163.58 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.0 96.93 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.36 179.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 mtt-85 -90.22 54.76 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -152.05 179.46 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -105.59 105.51 52.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.98 168.68 24.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -67.51 154.81 40.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.98 154.34 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.52 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 25.4 m-85 -150.15 106.34 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 123.49 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.66 78.93 9.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -60.09 159.39 9.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' SER . 9.0 mt -41.26 156.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.78 161.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.7 p -68.34 145.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 m -125.41 104.49 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 40.2 mp0 -77.11 121.93 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG13 ' CG2' ' A' ' 50' ' ' ILE . 90.3 t -101.31 153.61 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.73 -148.39 20.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.8 p -110.34 -13.24 14.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 162.07 27.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -113.63 101.22 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.414 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 5.5 m-85 -90.9 -38.1 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.24 -172.02 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.91 -31.92 27.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -100.97 60.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.0 m -128.91 151.43 49.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.438 ' CG2' HG13 ' A' ' 40' ' ' VAL . 85.6 mt -82.12 127.0 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -116.57 98.76 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.4 mt -97.92 143.98 27.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 10.5 m-85 -133.64 113.83 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.39 163.72 32.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.15 2.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.11 42.32 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mm -119.75 152.58 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 2.6 mm-40 -113.38 177.58 1.15 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -74.99 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.472 ' CD2' ' HG3' ' A' ' 76' ' ' ARG . 2.2 t-160 -101.68 76.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 80' ' ' ALA . 4.4 t60 -64.71 -70.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.1 p -154.73 174.82 14.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -124.46 152.44 43.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mt -124.81 102.46 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 79.0 m -99.69 120.98 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -92.96 106.85 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -119.09 107.71 13.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.98 20.51 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.66 -27.3 21.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 71' ' ' VAL . 94.5 t -75.71 141.86 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.435 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 49.3 t -129.38 146.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.5 p -134.95 119.59 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.427 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.6 p -71.48 126.74 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 52.5 m -128.0 108.04 20.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.22 7.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 17.8 mmm180 -88.34 -16.11 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.4 m -132.79 135.97 46.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -41.48 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -33.9 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.484 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . . . -68.18 99.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.1 mp0 -71.49 116.76 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.6 m -127.19 108.66 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 35.5 m-85 -113.59 120.1 39.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.9 t -95.12 91.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.9 OUTLIER 80.57 38.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.14 12.96 83.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -120.99 118.21 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.551 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.7 ttt180 -74.54 152.92 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.7 pt -117.13 174.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.99 18.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.04 -174.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.7 m -53.72 104.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -113.56 123.4 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 44.9 ttm -53.64 144.19 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.7 mt -116.23 142.4 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -124.18 137.27 54.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -45.75 128.79 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 -40.35 2.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.82 143.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -90.09 164.95 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -145.85 108.89 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.445 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 19.9 tt0 -98.27 115.88 29.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 97.9 m-85 -110.01 102.73 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.59 36.62 48.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.445 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 10.0 t 35.88 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.5 t -149.24 -46.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.425 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 30.3 m-70 -100.32 105.05 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.52 129.7 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -129.77 168.44 16.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.434 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -128.6 116.27 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.8 t80 -79.62 137.96 37.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.677 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.89 156.65 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.493 ' N ' HG21 ' A' ' 112' ' ' VAL . 1.2 t70 -136.79 95.61 12.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.521 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -38.87 88.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 112.62 138.4 7.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -74.97 152.67 41.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 117' ' ' PRO . 3.6 m 50.76 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.0 m -160.12 -56.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.452 1.095 . . . . 0.0 111.05 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -147.29 148.89 31.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -73.18 108.88 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.34 -147.55 18.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 m -115.31 150.97 35.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -124.4 98.12 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.05 70.11 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -17.43 19.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.88 2.56 37.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.23 49.27 2.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 21.9 mt -100.72 154.39 37.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.96 141.63 27.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.667 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 42.7 p90 -138.71 166.66 23.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.495 HD23 ' CA ' ' A' ' 111' ' ' PHE . 2.7 mt -116.5 123.02 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 9.9 p -107.47 102.21 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.6 tt0 -38.75 137.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -118.12 167.49 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.0 171.25 5.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.47 11.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 2.01 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 45.01 11.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -121.1 152.38 38.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.26 63.09 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.548 ' O ' ' CB ' ' A' ' 25' ' ' ARG . 1.6 p -162.16 121.55 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER 153.58 -20.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.88 -163.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 106.62 58.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.97 158.91 42.03 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.31 155.55 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.556 HD22 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.85 146.1 51.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 35.8 m-85 -140.37 102.76 4.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -73.04 135.88 44.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.1 mt -97.41 80.53 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -64.65 155.85 32.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.1 mt -50.66 110.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 156.35 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.57 109.57 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.3 m -104.55 108.26 19.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.35 126.75 34.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.4 t -98.06 147.09 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.29 -139.04 8.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.0 p -117.69 18.93 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 110.388 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -118.39 170.46 8.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -125.08 138.52 54.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -136.22 -60.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.58 176.37 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -70.31 -42.39 72.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -117.05 65.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 p -92.61 171.58 8.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.066 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.4 mt -100.18 117.29 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.486 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 39.0 tt0 -118.22 102.24 8.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.4 mt -108.6 165.82 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 22.6 m-85 -139.91 122.29 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.57 159.49 30.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 94.03 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 125.78 0.37 7.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.56 1.163 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 16.4 mm -81.07 152.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -115.11 178.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.01 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.433 ' NE2' ' OD2' ' A' ' 63' ' ' ASP . 7.1 t-160 -100.43 76.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.648 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.508 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.5 t60 -63.12 -62.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.95 168.97 18.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' NE2' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -117.86 137.86 52.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.9 mt -113.27 91.89 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.513 ' O ' ' CE ' ' A' ' 67' ' ' MET . 79.7 m -92.95 132.5 37.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.419 ' ND2' HD23 ' A' ' 35' ' ' LEU . 38.1 t-20 -103.1 110.69 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.85 103.12 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 60.84 48.91 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.05 76.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.67 129.64 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.243 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.452 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 42.0 t -122.37 140.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.4 ' CG2' ' HA ' ' A' ' 94' ' ' MET . 5.7 p -137.99 118.76 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.29 122.98 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.7 m -124.74 106.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.443 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -125.23 22.8 7.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.9 118.5 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.5 64.36 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 174.19 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.508 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -64.51 112.69 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mt-10 -85.15 120.19 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.2 m -121.67 109.89 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 79.7 m-85 -114.0 117.63 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 98.2 t -92.61 91.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.5 t0 79.58 35.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.43 12.31 80.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.5 116.5 25.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.3 ttt180 -71.88 152.6 42.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.443 ' CD1' ' HD3' ' A' ' 75' ' ' PRO . 6.7 pt -114.13 170.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 m -139.36 13.28 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 176.74 -174.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.3 m -54.29 101.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.5 m -110.26 118.92 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.4 ' HA ' ' CG2' ' A' ' 72' ' ' THR . 30.7 ttm -52.93 141.9 20.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.4 mt -109.36 146.46 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -125.25 144.95 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -54.34 127.91 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.51 -42.21 1.98 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.438 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -42.96 148.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -88.98 160.0 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -132.59 114.4 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.232 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -107.13 123.16 47.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.482 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 18.4 m-85 -118.89 78.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.69 34.6 11.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p 38.92 50.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -146.24 -49.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -108.83 97.7 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 40.8 t -93.43 132.62 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -132.16 173.72 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.78 115.5 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.1 t80 -80.54 142.23 34.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.667 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 1.1 m -134.94 157.65 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.499 ' N ' HG23 ' A' ' 112' ' ' VAL . 4.5 t70 -136.23 93.02 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.528 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -10.82 21.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 t -60.68 -37.64 82.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.02 138.61 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 83.86 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -59.06 2.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.08 116.06 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -145.12 85.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 110.016 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p 55.51 170.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.43 -162.41 34.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.99 127.76 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 0.0 110.011 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -137.95 58.13 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.83 92.0 0.86 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -17.98 19.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.85 6.55 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.89 46.3 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 27.5 mt -118.28 137.16 24.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' CG ' HG22 ' A' ' 71' ' ' VAL . 18.2 Cg_endo -74.98 140.14 25.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.625 ' CD1' HD12 ' A' ' 30' ' ' LEU . 49.1 p90 -143.5 165.15 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -113.03 130.11 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 110' ' ' LYS . 9.2 p -110.49 119.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -50.74 129.36 22.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 10.6 mt -117.98 162.53 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 170.46 0.48 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -113.17 -15.88 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.97 47.26 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -123.21 162.13 23.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.09 116.0 25.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.26 -158.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 64.21 73.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t0 52.09 179.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -66.29 113.12 11.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.63 32.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -66.94 152.43 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.383 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.625 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.22 150.49 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 74.3 m-85 -143.77 111.47 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 141.59 28.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.0 mt -99.22 81.27 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.85 157.96 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.3 mt -42.73 163.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.31 -149.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 63' ' ' ASP . 61.7 t -112.82 156.83 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 m -138.64 99.29 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 28.5 mp0 -77.49 118.34 19.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' A' ' 52' ' ' LEU . 23.8 t -97.29 162.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.09 -129.72 5.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.1 p -125.42 6.06 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.66 149.99 33.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -106.37 111.06 23.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -103.94 -72.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.37 -167.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.26 -37.76 13.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -113.58 60.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.2 p -101.51 153.07 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.95 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.5 mt -88.03 126.32 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.493 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 53.0 tt0 -119.87 99.31 6.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' CD2' HG11 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -102.64 170.85 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CZ ' ' HG2' ' A' ' 51' ' ' GLN . 9.7 m-85 -146.06 115.45 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.75 164.47 34.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.575 1.172 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.433 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 109.15 19.23 8.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -102.54 152.41 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.531 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.6 mm-40 -118.6 179.97 0.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.531 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.5 Cg_endo -75.03 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 6.5 t-160 -101.29 75.32 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 80' ' ' ALA . 4.9 t60 -60.25 -69.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.4 p -153.56 167.79 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -114.67 140.02 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.0 mt -117.27 90.82 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 m -94.66 150.19 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -117.95 106.08 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 66.2 mmm -119.39 97.49 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 67.56 54.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.34 20.33 50.35 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.84 138.14 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 12' ' ' PRO . 66.9 t -135.74 137.17 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.4 ' N ' HG11 ' A' ' 71' ' ' VAL . 22.5 p -137.33 119.21 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 p -67.1 117.03 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.4 m -116.76 107.2 46.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.21 -22.28 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 m -126.93 132.43 50.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtt -68.51 -35.07 76.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.33 -37.62 81.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.475 ' HB2' ' CG ' ' A' ' 61' ' ' HIS . . . -67.45 98.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.3 mp0 -66.73 119.54 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -127.08 104.59 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 42.1 m-85 -106.67 115.85 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 50.1 t -94.56 91.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.0 t70 80.58 35.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.54 26.33 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -136.96 116.4 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 110.349 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 4.9 ttt-85 -71.32 133.27 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.6 pt -101.37 153.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -114.24 -18.92 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -143.26 -176.24 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 78.6 m -54.4 105.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.0 m -108.08 133.94 51.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 33.4 ttm -67.41 150.92 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.444 ' CD2' HD12 ' A' ' 101' ' ' LEU . 38.8 mt -109.87 135.42 50.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -123.9 139.82 53.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 p -45.76 128.54 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.27 -40.37 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.439 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -44.86 143.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -97.56 134.17 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -109.32 107.14 17.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -106.92 122.13 45.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 101' ' ' LEU . 3.6 m-30 -109.65 84.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.92 -92.24 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.422 ' O ' ' OG1' ' A' ' 105' ' ' THR . 0.5 OUTLIER 176.94 57.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 110.381 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.1 p -170.38 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -100.2 112.41 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -124.8 118.88 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.523 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 53.8 m-85 -119.29 158.64 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HE3' ' CG2' ' A' ' 112' ' ' VAL . 13.1 tttt -111.98 117.32 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.483 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.4 t80 -77.99 126.64 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.491 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 24.2 t -130.04 146.08 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.75 101.84 50.51 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.515 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -3.9 14.6 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.7 m -64.2 -42.04 96.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.45 144.06 7.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 81.53 2.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.792 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.1 t 59.35 82.89 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 t -43.45 132.23 4.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.021 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -139.18 -57.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -39.67 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.07 172.31 44.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.81 167.41 22.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -154.98 100.68 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.94 99.87 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.569 1.168 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.82 13.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.37 15.36 7.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -142.34 49.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 31.0 mt -105.44 152.56 39.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.05 140.86 25.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.693 ' CE2' ' CG2' ' A' ' 112' ' ' VAL . 49.4 p90 -139.6 166.91 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 5.1 mt -114.81 116.38 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.429 ' HB ' HD22 ' A' ' 30' ' ' LEU . 9.3 p -101.03 105.71 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 12.7 tt0 -42.04 133.1 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.4 mt -110.33 162.67 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 171.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.22 -12.64 12.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.27 38.32 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m -121.4 154.47 36.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -100.82 104.37 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 -156.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.38 70.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t0 51.98 179.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -65.29 113.15 10.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 168.19 25.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.065 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CD ' ' OH ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -67.4 152.3 45.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.35 154.6 48.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' OH ' ' CD ' ' A' ' 29' ' ' LYS . 40.6 m-85 -152.97 104.44 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -73.14 134.44 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.31 77.82 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.39 153.7 43.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.9 mt -45.88 109.14 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER 159.55 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 p -108.16 111.75 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 49' ' ' SER . 17.7 m -99.8 101.63 12.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.01 111.02 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.461 HG11 ' CD2' ' A' ' 52' ' ' LEU . 58.9 t -89.36 148.31 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.67 -139.05 7.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.6 p -122.11 1.51 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -111.28 159.61 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 134.97 45.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -134.98 -55.34 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.71 152.73 22.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -37.56 70.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -110.64 65.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.432 ' HA ' ' CG2' ' A' ' 38' ' ' THR . 9.0 p -117.0 156.15 27.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.465 HG21 ' CD2' ' A' ' 52' ' ' LEU . 83.3 mt -91.45 135.26 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -128.67 104.09 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -105.85 168.96 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.92 113.2 7.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.38 160.78 30.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 99.51 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 121.4 6.05 9.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.4 mm -88.36 152.43 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.509 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -115.88 179.08 0.84 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.01 -59.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -100.66 76.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.525 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.6 t60 -62.55 -70.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.9 p -153.07 176.31 12.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.84 123.1 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mt -94.5 99.75 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.505 ' O ' ' CE ' ' A' ' 67' ' ' MET . 92.0 m -101.44 133.32 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.434 ' CG ' ' CD2' ' A' ' 35' ' ' LEU . 39.4 t-20 -103.65 110.92 23.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.63 99.84 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 1.5 m-20 60.54 61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.94 27.64 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 68' ' ' ASP . 4.7 t -127.35 131.03 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' THR . 40.7 t -123.23 139.41 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.8 p -137.58 118.86 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.57 121.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 m -122.08 107.01 35.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -116.81 25.08 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.36 120.45 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.42 62.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t0 172.15 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.525 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.71 111.5 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.467 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 12.0 mt-10 -87.64 123.14 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.7 m -122.7 100.69 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 71.6 m-85 -99.59 113.21 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 55.6 t -87.95 92.08 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.8 t0 80.16 25.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.98 22.92 29.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.18 110.7 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -69.56 143.11 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 22.8 pt -105.06 174.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -140.96 14.29 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.71 -175.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.1 m -52.74 104.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -115.94 122.31 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.9 150.56 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.0 mt -117.43 147.99 42.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -127.73 145.82 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -56.21 129.52 40.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.04 -36.4 4.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -47.42 139.58 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 2.0 mtm105 -88.9 140.1 29.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.492 HD13 ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -112.54 114.75 27.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.421 ' NE2' ' HB ' ' A' ' 105' ' ' THR . 36.5 tt0 -119.31 118.13 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.492 ' CE1' HD13 ' A' ' 101' ' ' LEU . 11.4 m-85 -112.75 101.3 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 70.52 34.0 67.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 102' ' ' GLN . 1.9 t 38.75 51.22 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.2 t -137.3 -56.13 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -108.34 106.5 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 33.7 t -97.49 132.77 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 28.4 m-85 -132.5 177.54 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.499 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -138.31 112.65 8.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.0 t80 -78.32 142.43 37.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.693 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -135.24 156.34 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 112' ' ' VAL . 5.3 t0 -134.95 93.12 17.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.519 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -37.83 88.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.47 138.26 0.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 133.88 17.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -56.41 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.3 m 61.28 122.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.01 137.47 32.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.045 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -80.91 170.82 15.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.87 -170.59 24.64 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.6 -176.74 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -157.24 120.32 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.36 127.83 0.96 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.434 1.083 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.96 19.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.77 4.61 40.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -124.4 37.09 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 114' ' ' PRO . 11.6 mt -103.94 135.81 19.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.02 140.73 25.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.656 ' CD1' HG13 ' A' ' 112' ' ' VAL . 17.5 p90 -134.84 165.13 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 HD22 ' CA ' ' A' ' 111' ' ' PHE . 4.7 mt -114.25 108.47 16.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 8.0 p -92.41 113.65 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -51.89 128.53 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.19 164.08 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -59.07 173.99 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.93 0.98 8.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -123.08 21.85 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.86 47.61 87.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.4 m -122.89 163.57 20.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.55 2.39 41.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 t 49.62 -179.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -99.8 25.35 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.33 -175.82 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -106.83 104.49 51.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.99 164.65 32.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.818 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 155.56 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.567 HD22 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -126.98 125.94 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE2' ' CE2' ' A' ' 109' ' ' PHE . 13.8 m-30 -112.59 103.3 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 13' ' ' TYR . 4.3 mtt180 -73.53 138.47 45.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 22.2 mt -103.87 102.56 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.94 176.7 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.41 160.13 25.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p 87.53 -144.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.558 ' CG2' ' HB2' ' A' ' 63' ' ' ASP . 1.4 p -113.0 151.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 m -133.83 100.91 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.51 128.55 35.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.407 ' CG2' ' CD2' ' A' ' 64' ' ' LEU . 36.5 t -105.57 168.73 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.22 -149.26 19.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.3 p -105.92 -14.16 15.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.408 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.56 157.21 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 132.54 48.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -122.78 -62.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.46 -171.26 2.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.88 -36.2 23.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -118.88 61.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.9 160.28 14.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.405 HG23 ' CD2' ' A' ' 31' ' ' TYR . 64.5 mt -91.81 124.48 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -113.15 113.66 25.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.7 mt -113.62 151.86 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.447 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 38.2 m-85 -134.36 120.22 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.93 160.42 32.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.01 4.04 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -89.99 152.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.49 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -114.98 177.57 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -106.12 77.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.537 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.9 t60 -65.17 -68.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.8 p -156.71 170.99 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.558 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -126.57 126.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' CD2' ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -91.08 115.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.3 m -103.47 102.26 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -85.84 106.17 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -119.42 119.12 33.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.49 17.97 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.31 -29.05 11.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.2 t -74.51 140.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 56.1 t -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.8 p -137.84 120.05 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.4 ' CG1' HD13 ' A' ' 89' ' ' ILE . 3.1 p -71.3 125.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.7 m -124.69 102.63 32.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.454 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.0 122.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -123.83 33.85 5.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.97 140.74 47.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.439 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.7 ptp -91.85 61.34 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 78' ' ' MET . 2.4 m-20 163.25 -28.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.537 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -59.84 108.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.2 mp0 -86.47 125.3 33.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.2 m -127.59 105.23 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 76.1 m-85 -108.52 117.21 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 92.3 t -87.67 92.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' VAL . 1.7 m-20 65.37 44.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.66 28.66 56.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -136.37 105.9 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -68.49 151.01 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 75' ' ' PRO . 6.2 pt -115.41 158.23 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -130.99 7.56 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.21 -178.67 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -50.06 103.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.0 m -114.48 125.65 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 5.1 ttp -62.55 145.43 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.86 146.13 38.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.75 142.21 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -53.49 128.94 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.75 -17.71 48.9 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.463 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -71.47 143.44 50.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.6 mtm-85 -89.25 163.03 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.537 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -141.73 107.06 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -100.13 106.11 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.537 ' CZ ' HD21 ' A' ' 101' ' ' LEU . 96.9 m-85 -96.45 88.13 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.18 -93.74 1.05 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 105' ' ' THR . 0.5 OUTLIER 176.13 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -177.21 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 50.2 m-70 -103.06 112.63 25.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.6 t -121.95 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.469 ' CE2' ' CE2' ' A' ' 31' ' ' TYR . 9.3 m-85 -122.59 169.21 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -127.41 117.53 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 5.5 t80 -79.47 140.38 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.656 HG13 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -139.78 153.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.505 ' N ' HG23 ' A' ' 112' ' ' VAL . 7.1 t70 -136.65 102.98 9.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.437 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -3.17 13.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -68.37 -40.58 81.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.38 143.72 13.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.11 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.53 17.87 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' GLY . 18.0 m -77.25 100.37 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.73 -76.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 118' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.15 88.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -132.94 126.02 31.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.72 172.44 53.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.17 155.52 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.13 74.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.3 75.9 0.23 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.51 6.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -79.51 1.67 24.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.72 62.6 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 91.0 mt -102.52 144.56 28.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.02 144.52 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.605 ' CZ ' HG22 ' A' ' 112' ' ' VAL . 31.9 p90 -141.52 170.59 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD21 ' CA ' ' A' ' 111' ' ' PHE . 3.1 mt -115.52 119.8 37.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.489 ' CG1' ' HD2' ' A' ' 110' ' ' LYS . 8.5 p -102.53 101.91 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 24.8 tt0 -40.24 136.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -118.72 165.73 13.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.406 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -61.47 173.33 0.79 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.34 -18.38 13.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.95 5.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.5 p -124.19 163.02 22.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -82.5 111.4 18.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.4 p -60.57 -178.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.24 13.66 28.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -131.93 152.1 51.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 112.56 8.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.432 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.0 164.62 33.0 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 153.32 43.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.568 HD11 ' CG ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.23 149.5 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 43.5 m-85 -144.99 114.97 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -82.14 117.1 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.7 mt -77.16 80.06 3.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.59 152.48 26.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.0 mt -43.53 164.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.6 m 87.38 -150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 63' ' ' ASP . 21.4 t -111.02 146.31 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.2 m -132.85 106.68 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -78.47 134.6 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.434 ' CG2' ' CD2' ' A' ' 64' ' ' LEU . 23.7 t -112.89 162.27 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 130.06 -138.23 10.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.6 p -115.67 10.86 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.92 167.93 10.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -123.87 129.15 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -131.73 -65.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.23 173.1 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -70.16 -40.04 74.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -118.33 57.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -85.72 151.66 23.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.0 mt -85.2 129.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.24 103.45 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 41' ' ' GLY . 27.3 mt -104.23 164.86 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 22.5 m-85 -143.17 117.7 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.21 157.98 28.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 134.28 -9.71 4.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.9 mm -72.25 152.48 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.483 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -112.4 177.14 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.459 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 10.9 t-160 -98.66 75.53 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.563 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.2 t60 -64.7 -71.96 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.8 p -148.72 175.43 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.266 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 1.4 m-20 -132.81 116.78 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -84.78 121.25 27.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.4 m -121.79 116.68 24.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.452 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -85.23 106.44 16.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.416 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 85.4 mmm -118.97 98.3 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.29 76.94 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.85 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 68' ' ' ASP . 73.4 t -136.61 147.54 27.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.482 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 64.6 t -129.91 147.14 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 71' ' ' VAL . 18.1 p -138.01 120.01 15.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.424 ' CG1' HD12 ' A' ' 89' ' ' ILE . 3.7 p -74.75 114.33 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.6 m -113.89 104.49 55.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -124.37 28.35 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.13 131.18 48.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.7 60.24 6.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.01 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.19 107.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 9.7 mp0 -84.1 121.34 27.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 115.82 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 39.4 m-85 -116.49 118.9 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 71.5 t -90.24 91.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.5 t0 79.05 30.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.55 22.67 46.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -128.57 111.03 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 110.352 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' HB2' ' CE2' ' A' ' 83' ' ' TYR . 9.0 ttt-85 -71.68 131.43 43.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.424 HD12 ' CG1' ' A' ' 73' ' ' VAL . 9.2 pt -101.55 152.9 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.238 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.02 -17.14 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -142.93 -177.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.8 m -54.12 105.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.4 m -110.35 134.88 51.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.56 150.98 47.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 81.0 mt -118.17 141.14 48.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -125.97 144.3 50.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 p -52.22 130.17 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.51 -31.96 8.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.63 142.81 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.747 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -90.12 163.97 14.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.556 HD21 ' CZ ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -144.25 106.73 4.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.469 ' OE1' ' CE1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -95.73 119.8 34.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.556 ' CZ ' HD21 ' A' ' 101' ' ' LEU . 97.2 m-85 -113.6 93.24 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 78.8 36.26 29.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.461 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 16.3 p 37.11 42.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -144.78 -46.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.409 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 62.5 m-70 -106.86 98.99 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.612 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.39 123.51 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 6.7 m-85 -120.83 172.87 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.489 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -130.89 117.92 19.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.7 t80 -78.92 135.78 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.605 HG22 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.31 155.12 41.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.499 ' N ' HG21 ' A' ' 112' ' ' VAL . 0.6 OUTLIER -137.19 101.62 9.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -0.99 10.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.5 t -65.03 -45.2 86.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.82 142.23 7.05 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.442 1.759 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.9 p -46.86 141.36 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.8 t 53.93 100.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -80.46 156.81 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -155.09 138.75 16.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.7 -125.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 p -75.27 -175.08 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.032 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 60.4 67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 -85.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -14.55 20.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.8 4.64 18.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.32 60.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 41.9 mt -105.24 151.1 39.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.97 141.39 26.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.702 ' CE1' ' CG2' ' A' ' 112' ' ' VAL . 49.4 p90 -139.54 168.31 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.527 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 8.2 mt -118.78 121.39 39.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 10.0 p -106.39 105.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 5.9 tt0 -41.77 132.49 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 mt -112.86 161.71 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.423 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.36 173.79 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -74.99 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.48 -5.35 15.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.33 36.88 19.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p -121.96 152.42 39.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.09 112.28 24.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.22 -158.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.02 72.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t0 47.91 -171.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.62 114.0 32.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.0 170.95 19.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.94 154.79 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.626 HD13 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.94 149.99 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.456 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 40.2 m-85 -146.69 105.83 3.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.09 124.75 27.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -87.96 75.77 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -63.11 163.53 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -43.82 165.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 87.27 -155.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.1 p -117.62 143.76 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.9 m -123.35 103.39 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -75.12 119.07 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 52' ' ' LEU . 92.6 t -95.18 168.05 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.43 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . 130.33 -145.86 17.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.0 p -112.43 -10.92 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.59 150.71 26.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -102.54 113.44 26.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -104.37 -54.38 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.75 173.54 11.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -72.35 -20.91 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -107.88 54.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.2 m -127.43 151.8 48.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.9 mt -87.25 119.28 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -114.52 98.51 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -97.9 167.47 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 19.7 m-85 -146.95 112.35 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.65 160.7 30.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.15 3.42 8.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -84.15 152.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -114.5 177.46 1.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -60.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 12.2 t-160 -99.4 75.94 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.57 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 2.7 t60 -64.42 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.9 p -148.09 176.34 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.262 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 2.4 m-20 -136.2 122.4 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.455 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -91.54 116.53 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.9 m -116.42 118.75 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -84.88 106.67 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.08 97.88 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 70.0 59.65 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.25 20.08 9.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.9 t -125.11 146.47 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.48 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 53.5 t -127.39 143.45 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.6 p -136.77 120.16 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.71 124.37 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -124.11 105.46 31.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.11 8.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.4 mmm180 -120.73 19.99 11.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.1 122.24 35.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -79.53 62.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.7 m-20 171.41 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.57 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . . . -61.34 121.51 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 15.7 mt-10 -91.1 122.02 33.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.5 m -128.17 102.89 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 36.1 m-85 -107.19 118.88 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 60.7 t -92.94 92.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.6 t70 83.51 29.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.16 23.01 53.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -133.11 112.45 11.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.19 151.84 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.0 pt -112.96 174.51 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -141.81 17.81 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.53 -174.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.0 m -57.65 102.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -110.16 129.21 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 42.6 ttm -58.37 149.78 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.6 mt -117.67 141.39 48.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.06 158.63 25.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 p -70.46 120.16 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.01 -31.08 7.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.03 143.85 9.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -88.62 147.1 24.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.21 115.62 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.43 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 12.5 tt0 -115.25 111.52 21.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 83.2 m-85 -114.07 86.79 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.46 26.02 24.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.43 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 5.5 t 39.31 51.49 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -146.09 -49.67 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.418 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 54.5 m-70 -108.66 93.89 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.4 t -87.12 137.35 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -134.75 170.1 16.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 112.45 12.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.527 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 2.6 t80 -78.55 136.41 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.702 ' CG2' ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -130.03 156.6 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.489 ' N ' HG23 ' A' ' 112' ' ' VAL . 6.5 t70 -135.86 93.13 15.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.98 -3.98 14.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -19.76 62.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.29 -135.83 4.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 82.87 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.4 p -55.48 123.41 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t 61.19 146.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -94.61 121.87 36.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.793 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.04 110.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.71 94.35 0.96 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.3 OUTLIER 177.6 89.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.997 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.2 m 83.23 -65.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.36 93.09 2.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.72 20.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.22 26.87 3.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -154.05 36.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 92.3 mt -111.42 146.82 35.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.457 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.645 ' CD1' ' CD2' ' A' ' 30' ' ' LEU . 50.1 p90 -141.19 164.44 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -117.07 139.2 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 16' ' ' GLU . 5.9 p -115.07 106.68 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' CD2' ' A' ' 109' ' ' PHE . 29.7 tt0 -35.05 122.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.2 mt -122.18 167.03 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 167.61 29.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -2.99 13.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.03 -15.87 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.65 42.86 3.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.3 m -124.54 163.39 21.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -100.13 135.87 40.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 p -70.79 176.47 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -85.63 47.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.61 -167.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -93.78 116.54 66.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.89 32.46 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.21 151.36 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.645 ' CD2' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -123.46 157.73 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 21.6 m-85 -150.77 111.93 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 2.0 mtt-85 -89.65 142.33 27.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.7 mt -100.28 78.38 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -67.51 167.91 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 15.4 mt -40.75 158.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 85.99 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.7 p -105.18 139.72 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 m -117.05 122.13 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -97.65 126.47 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.519 ' CG1' HD22 ' A' ' 52' ' ' LEU . 11.8 t -103.98 148.37 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.76 -141.35 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.3 p -116.05 7.71 14.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.779 . . . . 0.0 110.449 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 160.07 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -107.32 117.15 33.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -114.67 -9.36 12.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.1 -168.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.09 -27.15 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -93.83 33.35 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -110.49 148.69 31.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.592 ' CG2' ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -92.44 127.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.87 110.91 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.592 ' CD2' ' CG2' ' A' ' 50' ' ' ILE . 4.0 mm? -108.05 135.82 48.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.25 113.21 18.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.88 166.51 39.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.54 2.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.75 16.83 6.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 5.4 mm -101.63 152.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.562 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -121.83 -178.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.96 -58.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -102.34 74.6 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.592 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.487 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 4.8 t60 -57.64 -68.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.2 p -152.68 164.23 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -111.07 132.96 53.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -112.66 110.4 20.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.5 m -108.13 146.88 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -119.37 107.38 13.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -118.68 99.15 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.69 22.08 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.68 -18.62 56.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.3 143.58 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.447 HG21 ' CG ' ' A' ' 12' ' ' PRO . 48.0 t -135.22 136.95 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 p -136.68 119.03 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.09 119.5 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 61.9 m -119.61 105.37 43.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.22 5.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -119.56 30.84 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.19 124.02 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.4 ttp -80.14 60.42 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.8 m-20 170.47 -32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.487 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -65.68 102.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 13.6 mp0 -75.83 125.72 29.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 m -127.91 110.98 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.568 ' CE2' HG22 ' A' ' 105' ' ' THR . 37.3 m-85 -115.47 116.62 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.6 t -92.75 91.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.3 t70 82.7 31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.93 7.35 84.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -114.65 115.11 26.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 8.1 ttt180 -69.71 153.28 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.0 pt -124.25 150.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.64 -15.22 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -142.33 -177.61 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -56.61 102.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.6 m -103.63 130.53 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.3 156.3 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 101' ' ' LEU . 29.8 mt -116.02 138.43 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -120.91 154.87 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.5 p -67.74 122.23 17.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.16 -32.79 6.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.7 142.69 49.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -88.56 151.44 22.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -125.97 106.17 9.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -91.41 133.35 35.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 101' ' ' LEU . 14.7 m-85 -124.07 71.28 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 96.73 39.13 4.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.568 HG22 ' CE2' ' A' ' 83' ' ' TYR . 17.7 p 32.41 45.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.6 p -144.37 -47.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -122.81 105.0 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.616 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.58 ' C ' ' CD1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -104.24 165.18 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 30.4 m-85 -150.18 160.52 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -111.98 112.83 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.4 t80 -79.08 129.51 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.9 t -127.78 145.29 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -112.16 97.55 39.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.453 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 -4.81 15.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -66.78 -52.39 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.99 143.57 6.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.93 11.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.7 m 42.34 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 t -127.23 97.17 4.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 19.7 mt -100.16 155.02 36.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -74.97 137.75 22.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.655 ' CD2' HD21 ' A' ' 30' ' ' LEU . 37.3 p90 -131.53 163.23 28.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.7 mt -115.34 109.47 17.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 15' ' ' VAL . 7.2 p -92.68 102.73 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 17' ' ' LEU . 25.4 tt0 -45.59 133.27 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.6 mt -118.34 163.68 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -51.85 174.27 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.39 -11.13 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 41.11 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.977 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.07 153.3 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.655 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.97 139.22 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 64.1 m-85 -131.82 97.81 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -70.07 110.53 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' HD11 ' A' ' 50' ' ' ILE . 32.0 mt -73.46 88.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HA ' HD13 ' A' ' 11' ' ' LEU . 47.7 mt-30 -71.95 158.24 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.8 mt -40.09 157.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.2 m 85.59 163.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.511 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.4 p -71.08 138.57 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 23.3 m -121.3 103.98 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 23.3 mp0 -72.78 139.55 47.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG2' HD22 ' A' ' 64' ' ' LEU . 16.5 t -114.3 168.12 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 127.05 -151.51 18.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 52' ' ' LEU . 69.2 p -104.52 -17.65 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.94 157.68 26.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 40' ' ' VAL . 15.8 mt -95.3 119.61 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -112.3 98.87 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.771 ' O ' HG22 ' A' ' 42' ' ' THR . 89.7 mt -103.34 143.66 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.85 112.25 13.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.36 159.84 30.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.02 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.11 15.19 7.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -99.08 152.8 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -112.43 175.11 1.99 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.05 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 1.7 t-160 -107.67 78.69 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.488 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.4 t60 -69.64 -70.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.78 168.62 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.495 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.2 m-20 -127.12 121.82 32.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -88.09 115.36 25.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.511 ' OG1' HG23 ' A' ' 37' ' ' VAL . 60.7 m -115.44 118.31 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -92.61 106.6 18.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 mmt -118.76 97.46 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 1.021 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER 67.55 68.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.14 27.11 2.46 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.436 1.085 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 68' ' ' ASP . 46.3 t -130.62 134.32 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 95' ' ' LEU . 21.6 t -124.89 139.09 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.1 p -133.51 125.04 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.388 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.59 HG13 HD13 ' A' ' 89' ' ' ILE . 2.7 p -70.27 124.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -122.92 105.29 35.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -78.91 -22.77 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -127.55 132.95 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -35.97 78.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.32 -40.18 89.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.488 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -63.61 97.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 12.7 mp0 -67.35 120.25 13.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.7 m -128.26 110.18 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 81' ' ' GLU . 28.7 m-85 -113.46 118.46 34.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.51 HG21 HG11 ' A' ' 73' ' ' VAL . 57.3 t -92.27 91.72 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER 80.67 37.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.67 18.72 77.02 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -127.58 115.86 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.59 154.12 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.59 HD13 HG13 ' A' ' 73' ' ' VAL . 13.7 pt -120.65 166.1 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 m -135.44 10.33 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -174.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.496 HG22 ' HB ' ' A' ' 72' ' ' THR . 36.8 m -51.46 107.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.419 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.3 m -113.8 118.69 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.919 ' HA ' HG22 ' A' ' 72' ' ' THR . 37.1 ttm -52.92 139.48 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 71' ' ' VAL . 76.5 mt -107.31 143.73 35.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -129.28 154.57 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -62.18 125.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.1 -34.43 5.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 95' ' ' LEU . 4.3 mtm -55.57 135.09 51.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.761 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -89.07 160.93 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -138.87 107.68 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.571 HE21 HG22 ' A' ' 105' ' ' THR . 14.3 tt0 -96.01 116.6 29.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -109.19 106.45 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 69.0 35.3 78.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.571 HG22 HE21 ' A' ' 102' ' ' GLN . 18.8 p 37.7 56.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.37 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.6 p -166.5 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -100.96 93.96 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.433 HG12 ' HB2' ' A' ' 17' ' ' LEU . 40.5 t -98.02 135.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' LEU . 17.6 m-85 -135.38 154.78 51.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.472 ' HD3' HG23 ' A' ' 112' ' ' VAL . 0.2 OUTLIER -118.4 119.47 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 2.6 t80 -86.64 133.64 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.527 HG11 ' OH ' ' A' ' 13' ' ' TYR . 11.1 t -132.37 143.0 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -113.18 104.89 55.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.01 -13.15 21.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 34' ' ' GLN . 31.4 mt -95.85 155.04 38.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.96 29.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.626 ' HD2' HD21 ' A' ' 30' ' ' LEU . 23.6 p90 -135.45 161.79 34.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 11.7 mt -117.95 108.63 15.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.733 HG23 HD23 ' A' ' 30' ' ' LEU . 9.1 p -92.89 105.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' HD23 ' A' ' 17' ' ' LEU . 22.8 tt0 -48.19 132.12 16.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.6 mt -118.44 164.07 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.79 171.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.42 13.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.2 -6.34 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.26 38.45 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 152.11 46.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.733 HD23 HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -130.92 150.5 52.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -148.35 102.05 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.34 112.11 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 14' ' ' LEU . 22.8 mt -73.48 88.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.564 ' HA ' HD13 ' A' ' 11' ' ' LEU . 51.1 mt-30 -72.57 159.28 34.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.5 mt -40.17 156.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.4 m 85.83 162.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.7 p -67.63 147.99 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 m -131.92 103.13 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 49.5 mp0 -73.14 136.53 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.62 ' CG2' HD22 ' A' ' 64' ' ' LEU . 54.0 t -113.14 168.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.538 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 129.4 -146.63 17.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 52' ' ' LEU . 16.3 p -112.79 8.28 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.33 175.24 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.569 HD12 HG22 ' A' ' 40' ' ' VAL . 50.5 mt -74.62 113.57 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.42 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' THR . 0.8 OUTLIER -127.02 167.36 16.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -145.62 122.22 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.59 158.0 29.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.78 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 129.85 -4.14 6.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.0 mm -79.45 152.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.49 175.89 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.02 -53.83 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.425 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 1.2 t-160 -104.82 77.63 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.56 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.27 -71.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 74' ' ' THR . 25.2 p -148.74 165.81 30.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -122.76 115.98 22.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -85.28 113.1 21.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.567 ' OG1' HG23 ' A' ' 37' ' ' VAL . 89.0 m -114.9 122.05 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -94.57 106.68 18.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -118.97 98.83 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.944 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.3 t70 67.09 61.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.79 23.87 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 68' ' ' ASP . 25.0 t -125.68 136.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 95' ' ' LEU . 46.0 t -125.92 136.94 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.793 HG22 ' HA ' ' A' ' 94' ' ' MET . 31.5 p -131.37 120.28 22.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.627 HG13 HD13 ' A' ' 89' ' ' ILE . 4.2 p -68.48 124.83 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.506 HG23 ' OG1' ' A' ' 92' ' ' THR . 38.0 m -127.98 108.21 20.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -73.84 -22.63 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.0 m -129.87 140.05 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.7 mtp -70.78 -44.25 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -36.19 25.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.36 105.81 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 8.4 mp0 -79.37 114.7 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -120.93 105.55 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 88' ' ' ARG . 48.8 m-85 -106.05 115.46 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.498 HG12 ' SD ' ' A' ' 99' ' ' MET . 92.7 t -87.2 91.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER 74.98 31.46 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.01 46.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.1 mt-30 -127.9 111.09 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -71.47 132.99 45.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.627 HD13 HG13 ' A' ' 73' ' ' VAL . 26.8 pt -98.24 169.0 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.82 10.62 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.4 pt-20 -177.36 -175.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.506 ' OG1' HG23 ' A' ' 74' ' ' THR . 48.9 m -55.39 102.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.427 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.8 m -109.84 131.66 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.793 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -60.99 150.04 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.592 HD11 ' HB ' ' A' ' 73' ' ' VAL . 75.7 mt -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -133.25 145.8 50.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 p -52.87 128.3 26.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.23 -38.72 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.498 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -52.36 137.15 29.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 111.028 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -91.23 155.71 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -133.52 108.69 8.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.441 ' HB2' HG22 ' A' ' 108' ' ' VAL . 9.0 tt0 -102.98 106.53 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 101' ' ' LEU . 12.9 m-30 -92.31 97.03 10.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 97.92 -95.87 1.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER 178.26 57.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -179.1 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -101.25 119.52 38.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.583 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 102' ' ' GLN . 11.1 t -123.92 147.09 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 24.1 m-85 -139.45 150.68 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.27 118.69 34.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.496 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 2.7 t80 -86.87 135.92 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 23.6 t -134.42 147.59 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -114.77 103.2 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.502 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -8.24 19.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.643 HD22 ' CD2' ' A' ' 35' ' ' LEU . 90.2 mt -121.36 150.76 55.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.04 137.86 22.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.602 ' CD2' HD21 ' A' ' 30' ' ' LEU . 49.6 p90 -134.44 168.42 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 64' ' ' LEU . 16.8 mt -120.18 109.0 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 15' ' ' VAL . 8.0 p -92.59 102.62 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 22.0 tt0 -44.51 135.4 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.1 mt -118.96 164.77 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.29 172.34 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.72 -3.38 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.58 38.96 11.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.972 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 152.53 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.37 161.28 31.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 44.1 m-85 -155.38 102.01 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -69.58 117.77 11.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.417 HD22 HG21 ' A' ' 38' ' ' THR . 13.0 mt -83.31 79.9 9.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.409 ' HA ' HD13 ' A' ' 11' ' ' LEU . 24.9 mt-30 -54.31 166.96 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.643 ' CD2' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.56 103.87 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 96.9 p 172.44 -134.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.47 104.65 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.417 HG21 HD22 ' A' ' 33' ' ' LEU . 2.0 m -98.64 101.63 13.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -83.47 125.17 31.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 ' HB ' ' A' ' 50' ' ' ILE . 85.2 t -101.85 151.25 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.38 -139.56 9.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 52' ' ' LEU . 70.9 p -118.91 8.22 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 0.809 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -105.47 173.05 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 40' ' ' VAL . 87.1 mt -101.57 117.58 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -112.98 98.83 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.695 ' O ' HG22 ' A' ' 42' ' ' THR . 52.3 mt -103.17 147.07 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -129.48 117.29 20.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.12 162.85 33.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 102.65 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 114.86 20.53 5.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.21 152.73 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 2.0 mm-40 -115.75 177.59 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -98.33 75.37 2.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.603 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.5 t60 -63.24 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' THR . 30.9 p -154.91 171.08 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -124.88 112.24 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 14' ' ' LEU . 5.7 mt -85.14 95.17 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.5 m -100.22 147.77 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.536 ' HB3' HD13 ' A' ' 35' ' ' LEU . 57.7 t-20 -114.05 107.4 15.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.25 98.44 6.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER 65.97 75.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.48 30.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 68' ' ' ASP . 51.1 t -136.25 131.11 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 95' ' ' LEU . 7.7 t -120.75 138.8 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 94' ' ' MET . 21.5 p -133.74 120.77 20.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 89' ' ' ILE . 3.5 p -66.75 123.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.428 HG23 ' OG1' ' A' ' 92' ' ' THR . 33.8 m -121.7 104.85 38.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.02 115.96 4.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -90.28 -1.71 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -131.72 131.53 43.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mtt -76.3 -23.99 54.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.33 -30.44 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.603 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -66.93 102.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.557 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.1 mt-10 -74.83 117.71 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.432 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 2.1 m -127.63 105.57 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 23.4 m-85 -107.71 116.57 32.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.3 t -87.72 91.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.9 t0 79.76 26.75 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.21 7.44 62.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.86 114.94 26.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -69.09 152.12 45.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 73' ' ' VAL . 6.4 pt -120.69 153.1 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 32.1 t -121.96 -4.22 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 90' ' ' SER . 36.7 mt-10 -158.98 -173.6 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.428 ' OG1' HG23 ' A' ' 74' ' ' THR . 14.8 m -58.92 105.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -110.48 136.36 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.618 ' HA ' HG22 ' A' ' 72' ' ' THR . 15.3 ttm -65.0 153.7 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.46 HD12 HG12 ' A' ' 71' ' ' VAL . 81.3 mt -119.21 146.16 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -134.04 132.59 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -42.45 132.36 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.83 -31.01 9.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.438 ' SD ' HG12 ' A' ' 84' ' ' VAL . 1.4 mtm -59.16 138.6 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 158.05 17.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -134.25 107.02 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.436 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 13.6 tt0 -101.37 115.49 30.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 96.1 m-85 -109.9 101.2 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.68 35.44 51.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 20.6 p 37.74 52.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t -156.44 -54.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -93.12 98.72 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 17' ' ' LEU . 24.7 t -101.85 133.57 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 17.7 m-85 -136.56 156.67 48.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.473 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.1 121.26 40.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 3.5 t80 -89.69 136.49 33.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 25.1 t -134.86 150.79 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -119.94 102.5 46.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -18.64 18.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.878 HD22 ' HA ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -68.36 153.0 96.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.574 ' O ' HD12 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 134.98 18.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD1' HD21 ' A' ' 30' ' ' LEU . 50.6 p90 -125.32 168.91 12.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.669 HD12 HD21 ' A' ' 33' ' ' LEU . 27.5 mt -119.35 112.23 19.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 15' ' ' VAL . 10.0 p -96.37 105.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' HD23 ' A' ' 17' ' ' LEU . 23.8 tt0 -48.47 138.4 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.632 ' HB2' HG12 ' A' ' 108' ' ' VAL . 13.4 mt -121.64 165.43 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.88 174.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.783 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -14.55 12.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.51 6.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.014 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.52 153.64 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -122.63 132.2 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.424 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.6 m-85 -119.06 77.71 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.454 ' NH1' ' CD2' ' A' ' 30' ' ' LEU . 1.7 mmt-85 -51.54 128.92 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.669 HD21 HD12 ' A' ' 14' ' ' LEU . 18.3 mt -90.91 62.03 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.878 ' HA ' HD22 ' A' ' 11' ' ' LEU . 25.7 mt-30 -37.04 143.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.8 mt -39.81 158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 84.62 164.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 11.5 p -68.9 136.71 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.495 HG23 ' HA ' ' A' ' 49' ' ' SER . 99.6 m -120.01 108.71 14.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 119.82 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.659 ' CG2' HD22 ' A' ' 64' ' ' LEU . 58.0 t -96.08 167.68 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.535 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 123.05 -154.93 17.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.98 HG22 ' O ' ' A' ' 52' ' ' LEU . 80.9 p -105.69 -7.28 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.78 148.87 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.495 ' HA ' HG23 ' A' ' 38' ' ' THR . 64.3 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' CD2' ' A' ' 33' ' ' LEU . 36.0 mt -114.57 119.19 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -109.65 112.66 24.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.98 ' O ' HG22 ' A' ' 42' ' ' THR . 75.6 mt -115.29 140.12 49.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -124.97 112.67 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.63 159.75 28.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.12 8.56 9.4 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.5 mm -84.72 152.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -111.67 176.59 1.45 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -53.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -106.5 78.84 1.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.3 t60 -67.64 -68.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 74' ' ' THR . 14.8 p -153.47 174.12 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -130.05 117.67 20.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.659 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -84.84 111.37 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.4 m -105.55 112.91 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' HD2' ' A' ' 12' ' ' PRO . 52.0 t-20 -90.91 107.24 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mmt -117.95 114.15 22.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 54.81 25.61 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.42 -24.59 31.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.44 138.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 0.781 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.654 HG12 HD12 ' A' ' 95' ' ' LEU . 24.9 t -123.26 144.74 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.727 HG22 ' HA ' ' A' ' 94' ' ' MET . 9.9 p -137.67 120.81 16.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.645 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.8 p -73.19 126.21 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 91.0 m -128.77 107.51 18.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.451 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.99 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 -22.84 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -129.58 142.12 50.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -46.49 56.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.45 -34.87 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.51 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -71.45 104.83 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.04 122.47 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.233 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -127.2 100.81 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 88' ' ' ARG . 37.7 m-85 -98.65 115.49 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 89.2 t -86.76 91.55 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.7 t0 79.21 25.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.34 22.86 28.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -132.11 110.87 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 ttm180 -69.51 144.03 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.623 HD13 HG13 ' A' ' 73' ' ' VAL . 13.4 pt -108.33 168.98 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -136.27 10.7 3.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' O ' HD12 ' A' ' 89' ' ' ILE . 4.2 pt-20 -176.97 -178.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.8 m -51.14 104.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.437 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG12 ' A' ' 73' ' ' VAL . 4.4 m -112.9 125.01 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.727 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -59.9 146.28 42.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.654 HD12 HG12 ' A' ' 71' ' ' VAL . 83.2 mt -112.95 144.39 42.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -127.52 143.87 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 p -51.28 128.3 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.26 -34.43 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.438 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -53.82 140.47 30.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.986 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.0 147.96 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.575 HD13 HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -122.52 107.15 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.4 tt0 -102.44 116.4 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CZ ' HD22 ' A' ' 101' ' ' LEU . 97.7 m-85 -107.9 106.81 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.23 37.23 94.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.413 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 1.7 t 37.99 53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.8 m -152.14 -47.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -103.46 113.36 26.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.632 HG12 ' HB2' ' A' ' 17' ' ' LEU . 54.8 t -112.63 134.27 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 29.1 m-85 -142.25 142.03 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -104.7 111.92 24.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 1.7 t80 -80.04 132.7 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.7 t -132.47 153.54 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.97 101.45 45.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -9.57 20.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.807 HD22 ' HA ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -129.96 158.11 74.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.569 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.3 Cg_endo -74.97 133.99 17.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.721 ' CD1' HD21 ' A' ' 30' ' ' LEU . 51.6 p90 -130.06 164.54 24.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.891 HD21 HD13 ' A' ' 101' ' ' LEU . 11.8 mt -109.65 146.24 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 110' ' ' LYS . 13.5 p -133.03 107.49 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 17' ' ' LEU . 21.8 tt0 -50.91 135.2 24.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 16' ' ' GLU . 13.1 mt -120.66 164.98 15.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -56.08 173.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.99 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 -13.25 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.09 5.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.24 155.22 40.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.2 131.5 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 52' ' ' LEU . 2.8 m-85 -119.84 83.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.54 136.0 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' GLN . 12.9 mt -95.11 57.83 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.807 ' HA ' HD22 ' A' ' 11' ' ' LEU . 28.0 mt-30 -36.7 144.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -39.93 158.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 85.85 163.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.4 p -67.56 127.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -111.29 109.25 19.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' OE1' ' CD2' ' A' ' 60' ' ' HIS . 2.4 mt-10 -71.25 132.35 44.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.695 ' CG2' HD22 ' A' ' 64' ' ' LEU . 61.0 t -110.57 155.51 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.76 -157.0 21.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.912 HG22 ' O ' ' A' ' 52' ' ' LEU . 66.2 p -105.06 20.87 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.6 169.62 8.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 tttm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' HG13 ' A' ' 40' ' ' VAL . 29.0 mt -100.56 115.26 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.0 105.28 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.912 ' O ' HG22 ' A' ' 42' ' ' THR . 48.7 mt -108.46 155.58 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -140.14 116.69 10.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.79 160.52 31.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.01 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.2 8.09 7.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 103' ' ' PHE . 14.2 mm -88.87 152.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.428 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -112.67 174.14 2.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 58' ' ' GLN . 18.6 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.481 ' HE2' ' CG ' ' A' ' 63' ' ' ASP . 18.4 t-160 -103.76 77.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.458 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.6 t60 -69.41 -68.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.614 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.4 p -154.36 173.05 16.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.481 ' CG ' ' HE2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -131.04 115.51 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.695 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -84.7 109.11 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 37' ' ' VAL . 84.9 m -105.37 114.56 28.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.441 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -89.01 105.89 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.43 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 4.3 mmt -119.47 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 1.019 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.31 71.43 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.44 28.05 1.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 68' ' ' ASP . 48.9 t -132.5 139.76 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.627 HG12 HD12 ' A' ' 95' ' ' LEU . 24.8 t -130.23 145.8 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.742 HG22 ' HA ' ' A' ' 94' ' ' MET . 20.3 p -136.9 119.69 16.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.671 HG13 HD13 ' A' ' 89' ' ' ILE . 2.7 p -67.34 125.91 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.1 m -127.85 104.01 21.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.02 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 60' ' ' HIS . 23.7 mmm-85 -113.51 23.36 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.86 127.92 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.414 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -82.7 60.46 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.2 m-20 171.24 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.458 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -60.53 103.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 10.4 mm-40 -77.32 125.78 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -128.5 107.66 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 51.2 m-85 -108.68 113.61 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 84.1 t -89.68 91.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.5 t0 78.94 28.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.64 54.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -125.48 113.12 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 7.7 ttt-85 -71.84 131.31 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.671 HD13 HG13 ' A' ' 73' ' ' VAL . 6.9 pt -94.15 165.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -134.15 9.34 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.9 pt-20 -178.94 -175.11 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 72' ' ' THR . 7.9 m -51.19 103.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.4 m -112.94 117.02 30.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.742 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.15 145.64 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.627 HD12 HG12 ' A' ' 71' ' ' VAL . 87.7 mt -111.96 146.44 37.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -131.91 146.25 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 p -54.72 127.24 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.09 -28.37 13.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.45 141.58 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -89.03 154.45 20.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.891 HD13 HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -129.16 107.1 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -96.1 131.43 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 90.2 m-85 -129.01 85.78 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 80.29 40.53 13.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 105' ' ' THR . 3.6 t 35.9 41.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 -51.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -97.15 103.52 15.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 17' ' ' LEU . 32.5 t -110.99 126.39 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 14.6 m-85 -134.98 142.96 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.794 ' O ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -101.62 120.13 39.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.9 t80 -81.84 138.75 35.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.582 HG11 ' OH ' ' A' ' 13' ' ' TYR . 25.4 t -132.45 150.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -124.0 104.0 33.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -24.42 12.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 19.5 mt -102.69 154.89 37.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.496 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.03 139.26 23.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.67 ' CD1' HD21 ' A' ' 30' ' ' LEU . 48.7 p90 -136.11 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.6 mt -117.9 109.74 16.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 15' ' ' VAL . 9.3 p -92.57 101.86 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.8 tt0 -42.86 136.22 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.5 mt -117.63 165.43 13.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 171.97 1.92 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 0.24 9.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.16 2.59 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.65 46.34 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.023 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.48 152.17 46.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.88 146.23 52.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 50.3 m-85 -136.76 96.75 3.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -69.29 116.65 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' CD2' HD11 ' A' ' 50' ' ' ILE . 15.9 mt -81.89 91.47 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 26.7 mt-30 -71.63 154.16 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.1 mt -39.77 157.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 86.01 166.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.884 HG23 ' OD1' ' A' ' 63' ' ' ASP . 10.5 p -71.87 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 97.3 m -120.39 104.54 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 10.9 mp0 -71.1 145.52 49.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.622 HG22 HD12 ' A' ' 50' ' ' ILE . 24.6 t -120.77 168.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.503 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 128.95 -142.84 13.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.3 p -116.58 9.53 14.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.67 167.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.622 HD12 HG22 ' A' ' 40' ' ' VAL . 31.2 mt -94.48 124.12 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.84 104.69 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' PHE . 32.6 mt -107.68 162.73 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 9.0 m-85 -146.01 114.73 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.05 160.8 33.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.94 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.437 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 116.16 14.59 7.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -97.95 152.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.493 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.9 mm-40 -115.86 177.85 1.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 5.1 t-160 -101.96 77.25 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.61 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.452 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.3 t60 -65.54 -69.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.598 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' HG23 ' A' ' 73' ' ' VAL . 15.5 p -154.2 176.54 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.884 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -131.53 125.32 32.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.49 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -91.87 116.04 28.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.6 m -110.83 114.09 27.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 61.7 t30 -92.19 120.51 32.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . 1.026 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -118.62 95.12 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.5 7.65 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.14 -28.67 4.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.026 HG12 ' O ' ' A' ' 67' ' ' MET . 14.8 p -72.93 131.84 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.536 HG12 HD12 ' A' ' 95' ' ' LEU . 42.4 t -117.31 140.53 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.691 HG22 ' HA ' ' A' ' 94' ' ' MET . 55.5 p -134.6 121.12 20.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.441 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.723 HG13 HD13 ' A' ' 89' ' ' ILE . 2.5 p -74.52 123.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.609 ' OG1' HG23 ' A' ' 92' ' ' THR . 85.8 m -122.97 105.71 34.57 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 129.82 12.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -125.62 29.55 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.18 132.14 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.75 61.71 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' MET . 8.4 m-20 169.42 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -61.98 115.87 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mm-40 -89.78 127.9 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.644 HG21 HG21 ' A' ' 73' ' ' VAL . 25.6 m -128.2 102.42 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.623 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 70.1 m-85 -107.04 112.62 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 76.0 t -91.53 91.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 9.8 t0 82.91 33.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.85 18.62 69.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -127.31 112.48 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -66.51 152.76 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.723 HD13 HG13 ' A' ' 73' ' ' VAL . 10.4 pt -119.37 153.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.54 -5.89 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -156.93 -174.15 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.609 HG23 ' OG1' ' A' ' 74' ' ' THR . 71.4 m -56.05 104.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.42 ' O ' HG12 ' A' ' 73' ' ' VAL . 5.8 m -109.57 127.32 54.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.691 ' HA ' HG22 ' A' ' 72' ' ' THR . 4.2 ttp -60.78 156.9 16.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.536 HD12 HG12 ' A' ' 71' ' ' VAL . 69.5 mt -121.41 146.03 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -129.53 147.42 51.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -57.17 125.23 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.73 -36.69 4.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.59 146.35 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.436 ' NH2' ' OE1' ' A' ' 102' ' ' GLN . 0.7 OUTLIER -89.19 153.06 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.5 ' HA ' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -123.16 116.75 23.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.436 ' OE1' ' NH2' ' A' ' 100' ' ' ARG . 2.7 tt0 -107.9 125.33 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 84.7 m-85 -127.61 79.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.81 30.44 10.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.069 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.3 p 39.43 41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 p -142.71 -47.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -104.74 95.86 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.617 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 38.5 t -93.03 129.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 16.4 m-85 -125.23 173.15 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.482 ' HD3' HG23 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -133.56 118.28 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.487 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 3.8 t80 -84.44 134.61 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.482 HG23 ' HD3' ' A' ' 110' ' ' LYS . 5.0 t -134.53 146.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.47 104.88 51.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.06 -8.94 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' CD ' ' HA ' ' A' ' 115' ' ' SER . 3.9 mttm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 89.3 mt -118.49 148.06 43.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.639 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.03 137.57 21.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.921 ' C ' HD13 ' A' ' 14' ' ' LEU . 40.4 p90 -140.67 162.8 34.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.921 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -110.07 123.29 49.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' LYS . 11.6 p -103.82 121.32 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 17' ' ' LEU . 12.6 tt0 -51.12 126.86 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 110' ' ' LYS . 5.4 mt -113.71 162.07 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.45 170.87 1.99 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -111.09 -17.09 13.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.43 41.87 2.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.954 -0.441 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 152.24 46.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.22 160.93 33.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 61.0 m-85 -149.44 99.57 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 133.7 42.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.716 HD22 HD23 ' A' ' 64' ' ' LEU . 18.7 mt -100.71 106.37 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -81.58 158.31 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.905 HD23 ' HB3' ' A' ' 66' ' ' ASN . 16.6 mt -47.99 171.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m 78.14 -150.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.674 HG13 ' OD1' ' A' ' 63' ' ' ASP . 49.0 t -106.73 150.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.629 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.4 m -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.65 114.4 9.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 41' ' ' GLY . 41.6 t -92.28 167.84 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.513 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.85 -135.37 8.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 52' ' ' LEU . 15.8 p -122.88 8.56 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 157.7 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tptt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.629 ' HA ' HG23 ' A' ' 38' ' ' THR . 95.4 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.528 HG22 ' HG ' ' A' ' 52' ' ' LEU . 48.0 mt -93.62 128.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.99 99.02 6.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HG ' HG22 ' A' ' 50' ' ' ILE . 9.1 mt -107.02 164.74 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -144.34 117.65 9.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.65 35.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.44 21.85 5.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.5 mm -103.66 152.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.532 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -117.11 179.83 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -105.39 76.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.586 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.4 t60 -59.89 -60.12 4.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.5 178.4 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.674 ' OD1' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -132.91 121.17 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.716 HD23 HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -90.33 114.64 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.5 m -113.43 121.19 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.905 ' HB3' HD23 ' A' ' 35' ' ' LEU . 33.9 t-20 -96.05 105.97 18.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.158 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -119.54 97.55 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.95 ' O ' HG23 ' A' ' 70' ' ' VAL . 13.2 m-20 67.48 66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.1 30.43 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.95 HG23 ' O ' ' A' ' 68' ' ' ASP . 61.7 t -131.79 133.42 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.639 HG21 ' HG2' ' A' ' 12' ' ' PRO . 42.5 t -121.31 141.81 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.699 HG22 ' HA ' ' A' ' 94' ' ' MET . 23.7 p -137.33 119.17 15.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.62 HG13 HD13 ' A' ' 89' ' ' ILE . 2.3 p -68.85 115.83 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.881 ' OG1' HG23 ' A' ' 92' ' ' THR . 58.8 m -117.79 105.28 47.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -114.49 29.51 7.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.72 122.74 27.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.415 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.1 tpt -77.92 60.5 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.22 -32.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -64.0 112.94 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 24.7 mm-40 -86.13 129.65 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 73' ' ' VAL . 21.8 m -128.82 106.05 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.618 ' CE2' HG23 ' A' ' 105' ' ' THR . 52.5 m-85 -108.31 115.51 30.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 80.5 t -96.16 91.63 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.6 t0 79.21 33.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.61 26.32 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -133.3 113.45 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' CD ' ' OE1' ' A' ' 81' ' ' GLU . 7.6 ttt-85 -71.42 139.47 49.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.62 HD13 HG13 ' A' ' 73' ' ' VAL . 11.2 pt -108.15 150.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.65 -14.05 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -143.13 -175.06 4.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.881 HG23 ' OG1' ' A' ' 74' ' ' THR . 85.6 m -59.15 105.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 73' ' ' VAL . 21.2 m -104.56 134.23 48.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.699 ' HA ' HG22 ' A' ' 72' ' ' THR . 32.6 ttm -66.6 155.23 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD12 HG12 ' A' ' 71' ' ' VAL . 65.5 mt -118.64 140.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.89 142.27 47.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.45 132.32 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.43 -49.05 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -38.52 138.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 16.6 mtp180 -89.29 155.4 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -131.51 106.83 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.456 ' OE1' ' CG2' ' A' ' 108' ' ' VAL . 6.6 tt0 -100.35 123.99 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.496 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 90.7 m-85 -120.07 78.05 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 98.03 35.83 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.618 HG23 ' CE2' ' A' ' 83' ' ' TYR . 6.1 p 36.31 36.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 p -133.25 -57.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 78.0 m-70 -97.88 108.14 20.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.456 ' CG2' ' OE1' ' A' ' 102' ' ' GLN . 38.0 t -106.01 121.75 58.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 62.8 m-85 -121.62 164.73 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.53 ' HB2' HD11 ' A' ' 17' ' ' LEU . 9.1 tttt -119.64 120.63 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.495 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 7.3 t80 -78.27 134.03 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.493 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 54.2 t -135.27 147.2 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -113.61 96.33 40.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -7.0 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.465 ' HA ' ' CD ' ' A' ' 10' ' ' LYS . 13.0 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mttt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 90.3 mt -103.95 144.15 28.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.5 Cg_endo -74.93 144.73 30.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.838 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 22.7 p90 -140.09 163.41 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD23 ' CA ' ' A' ' 111' ' ' PHE . 5.2 mt -110.82 111.22 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.759 HG22 ' HG2' ' A' ' 28' ' ' PRO . 7.4 p -94.93 108.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.0 tt0 -48.71 137.05 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 16' ' ' GLU . 8.8 mt -118.94 166.49 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -67.56 174.25 2.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.955 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -74.99 0.43 8.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.34 -19.14 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.02 41.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.759 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 155.61 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.82 HD21 ' CG ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -128.75 156.86 42.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 25.2 m-85 -148.16 104.45 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 123.27 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD21 HD12 ' A' ' 14' ' ' LEU . 22.8 mt -82.51 75.1 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' LEU . 17.1 mt-30 -56.98 153.27 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.2 mt -39.37 157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER 86.39 162.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.786 HG23 ' OD1' ' A' ' 63' ' ' ASP . 13.4 p -70.91 142.28 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.865 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.2 m -126.46 103.99 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -75.92 128.97 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.709 HG22 ' HB ' ' A' ' 50' ' ' ILE . 48.3 t -103.78 167.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.66 -140.56 11.86 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 52' ' ' LEU . 68.0 p -115.49 -3.48 12.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 155.33 18.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.865 ' HA ' HG23 ' A' ' 38' ' ' THR . 5.6 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.709 ' HB ' HG22 ' A' ' 40' ' ' VAL . 91.4 mt -98.75 145.95 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -135.13 98.93 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.659 ' O ' HG22 ' A' ' 42' ' ' THR . 30.6 mt -104.27 148.49 26.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.31 112.57 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.67 161.03 30.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.42 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.8 4.38 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm -85.23 152.71 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.1 mm-40 -113.9 177.74 1.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.1 Cg_endo -75.03 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -98.45 75.61 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.564 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.6 t60 -64.0 -71.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' THR . 24.0 p -149.09 173.5 13.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.786 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.46 123.52 29.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -93.33 117.24 29.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -113.73 121.02 42.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -91.66 106.71 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.48 105.91 12.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 67.64 23.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.77 -28.55 14.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -75.81 149.89 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.523 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 54.2 t -128.18 146.62 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 94' ' ' MET . 25.6 p -134.95 123.3 23.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.535 HG13 HD13 ' A' ' 89' ' ' ILE . 3.0 p -73.55 125.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 62.5 m -124.78 104.92 30.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.03 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.51 27.98 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.66 122.78 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -80.13 61.4 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.069 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.6 -32.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -59.74 123.35 16.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 65.6 mt-10 -98.38 117.62 33.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -127.18 108.49 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 43.3 m-85 -108.76 119.81 40.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 97.2 t -88.2 91.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.1 t0 81.97 28.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.97 10.79 66.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 2.9 mt-30 -118.94 115.84 25.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.4 ttt180 -70.17 152.68 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.535 HD13 HG13 ' A' ' 73' ' ' VAL . 7.4 pt -114.47 171.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.12 15.22 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 89' ' ' ILE . 5.0 pt-20 179.22 -176.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -57.44 103.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' HG12 ' A' ' 73' ' ' VAL . 5.4 m -111.57 132.05 54.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.649 ' HA ' HG22 ' A' ' 72' ' ' THR . 2.5 ttp -62.08 144.71 54.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' A' ' 73' ' ' VAL . 51.6 mt -110.24 147.48 33.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.421 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 5.6 mt-30 -127.28 151.79 48.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -63.48 128.26 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.7 -28.94 13.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.91 142.84 33.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -90.95 161.18 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.549 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -140.72 106.87 5.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.452 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.1 tt0 -99.83 109.29 21.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 98.3 m-85 -100.73 107.27 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 61.8 37.29 94.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.452 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 7.2 t 36.18 53.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -146.84 -55.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -106.29 110.81 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 17' ' ' LEU . 25.4 t -103.77 132.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.6 m-85 -132.08 164.32 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.603 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -125.75 117.65 23.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CE2' ' HB ' ' A' ' 71' ' ' VAL . 3.3 t80 -79.14 138.13 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.838 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -136.24 154.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.57 102.26 9.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.464 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -7.76 19.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 115' ' ' SER . 7.8 mtmt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 11' ' ' LEU . 16.5 mt -109.17 134.59 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.03 137.45 21.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.652 ' OH ' HG11 ' A' ' 112' ' ' VAL . 49.9 p90 -132.96 166.05 23.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 15.1 mt -118.18 112.0 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 15' ' ' VAL . 7.2 p -92.63 101.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.7 tt0 -42.48 134.41 3.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.6 mt -120.03 164.12 16.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.69 172.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.5 8.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.7 10.13 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.66 44.24 40.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.999 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HD3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.68 139.24 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -120.78 141.89 50.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE2' ' HD3' ' A' ' 29' ' ' LYS . 13.9 m-85 -135.03 95.9 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 126.25 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.673 ' CD2' HD11 ' A' ' 50' ' ' ILE . 39.2 mt -88.74 95.43 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -66.08 -179.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -69.67 160.15 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 86.1 160.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.492 HG22 ' HB2' ' A' ' 63' ' ' ASP . 14.5 p -67.46 125.03 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 49' ' ' SER . 15.7 m -113.95 108.33 16.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.09 123.9 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG22 ' HB ' ' A' ' 50' ' ' ILE . 40.0 t -97.05 150.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.69 -151.51 23.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 52' ' ' LEU . 73.4 p -102.16 -19.08 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 59' ' ' PRO . 6.1 mm-40 -94.16 156.28 16.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.569 ' HA ' HG23 ' A' ' 38' ' ' THR . 2.4 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 33' ' ' LEU . 96.3 mt -70.17 130.45 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 51.0 tt0 -120.07 106.14 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' THR . 12.4 mt -110.97 162.08 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 16.7 m-85 -137.1 120.25 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.72 155.94 27.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 93.69 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.07 -0.62 7.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.28 152.47 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -113.1 175.72 1.75 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.99 -54.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -103.76 77.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.433 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -67.38 -61.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.3 p -165.63 173.31 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.492 ' HB2' HG22 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -121.64 147.02 46.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 40' ' ' VAL . 2.3 mt -121.95 102.91 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -96.6 118.11 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -94.54 106.99 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 mmt -118.45 100.65 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 19.53 10.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -18.58 44.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.71 134.73 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.616 HG12 HD12 ' A' ' 95' ' ' LEU . 25.5 t -131.69 137.67 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.955 HG22 ' HA ' ' A' ' 94' ' ' MET . 13.6 p -135.45 119.89 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.571 HG13 HD13 ' A' ' 89' ' ' ILE . 7.7 p -69.14 130.47 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.517 ' OG1' HG23 ' A' ' 92' ' ' THR . 95.1 m -129.77 104.77 17.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.67 8.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -124.25 29.37 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.88 119.44 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.62 58.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t70 177.36 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -65.89 119.72 11.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.601 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.1 mt-10 -90.11 127.43 36.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.417 HG21 HG21 ' A' ' 73' ' ' VAL . 85.7 m -128.21 101.67 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 87.2 m-85 -105.63 120.4 41.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.543 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 67.6 t -97.94 92.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 18.6 t0 76.83 39.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.66 29.6 57.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.0 mt-30 -140.31 113.38 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -70.08 151.54 45.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.571 HD13 HG13 ' A' ' 73' ' ' VAL . 6.5 pt -119.66 151.65 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -114.82 -15.78 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -143.01 -178.18 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' OG1' ' A' ' 74' ' ' THR . 99.8 m -55.45 107.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.466 ' O ' HG12 ' A' ' 73' ' ' VAL . 13.3 m -108.94 123.28 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.955 ' HA ' HG22 ' A' ' 72' ' ' THR . 5.3 ttm -54.39 144.86 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.616 HD12 HG12 ' A' ' 71' ' ' VAL . 22.2 mt -106.07 154.32 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -138.44 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -74.17 128.12 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' MET . . . 100.28 -35.21 4.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.543 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 2.3 ttt -36.94 144.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -98.98 123.78 43.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.511 ' HA ' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -98.69 115.49 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.407 ' HB3' ' HB2' ' A' ' 83' ' ' TYR . 3.9 tt0 -108.54 107.98 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 85.4 m-85 -109.28 83.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 85.53 31.24 22.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' GLY . 7.1 p 37.94 32.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 104' ' ' GLY . 1.4 t -126.4 -43.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 31.8 t -95.69 133.88 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -129.99 164.94 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.447 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -129.61 115.37 17.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.3 t80 -82.66 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.652 HG11 ' OH ' ' A' ' 13' ' ' TYR . 8.9 t -130.52 137.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.39 105.15 53.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -3.82 14.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.813 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.46 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 43.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 72.2 mt -97.99 148.66 34.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.863 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 26.3 p90 -141.02 166.47 24.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' CA ' ' A' ' 111' ' ' PHE . 5.9 mt -111.08 110.28 20.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.676 HG23 HD12 ' A' ' 30' ' ' LEU . 7.0 p -93.92 103.44 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -44.33 128.27 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.56 161.79 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -58.08 175.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -19.21 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.28 36.06 4.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 110.045 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.09 44.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.78 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.1 142.84 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 50.7 m-85 -133.96 100.28 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -71.47 125.91 28.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.27 79.39 9.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' LEU . 52.8 mt-30 -61.43 156.54 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 11.8 mt -39.63 156.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.31 159.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.9 p -67.4 150.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.9 m -135.21 104.77 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 131.47 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 41' ' ' GLY . 13.6 t -107.42 165.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 134.51 -140.47 11.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.753 HG22 ' O ' ' A' ' 52' ' ' LEU . 80.7 p -117.25 -11.12 10.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 157.7 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 tttt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.57 ' HA ' HG23 ' A' ' 38' ' ' THR . 47.2 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -87.36 150.34 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -134.92 98.6 4.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.753 ' O ' HG22 ' A' ' 42' ' ' THR . 84.6 mt -104.69 140.06 38.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -118.31 122.27 42.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.22 155.85 26.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.762 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.39 -7.25 5.0 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.445 HG22 HG23 ' A' ' 42' ' ' THR . 6.4 mm -72.59 147.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -107.67 176.02 1.78 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.94 -55.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.473 ' CD2' ' HB2' ' A' ' 76' ' ' ARG . 8.9 t-160 -101.85 76.44 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.544 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -67.45 -68.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -156.64 177.5 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -128.94 145.32 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mt -118.39 109.21 15.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.5 m -107.9 124.95 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.42 ' HA ' HG22 ' A' ' 71' ' ' VAL . 49.3 t-20 -90.77 111.0 22.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.4 mmt -118.23 102.28 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.34 26.94 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.66 -27.5 19.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.6 t -76.47 145.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 66' ' ' ASN . 54.5 t -130.41 145.03 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 94' ' ' MET . 24.7 p -133.43 119.14 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.815 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.2 p -71.45 124.59 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.8 m -124.9 103.94 30.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.99 121.31 6.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 30.0 mmt180 -116.92 35.28 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.51 144.19 49.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 7.9 ptp -96.15 59.8 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 78' ' ' MET . 11.0 m-20 164.67 -27.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.544 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -59.33 104.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.2 mp0 -83.28 118.13 23.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 97.1 m -125.19 102.15 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 88' ' ' ARG . 33.7 m-85 -101.46 113.34 26.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 70.0 t -85.98 91.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.3 t0 77.46 30.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.91 60.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -123.01 112.65 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HB2' ' CD1' ' A' ' 83' ' ' TYR . 5.1 ttt-85 -74.95 127.6 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.729 HD13 HG13 ' A' ' 73' ' ' VAL . 9.0 pt -91.82 166.51 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 11.69 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 89' ' ' ILE . 3.8 pt-20 179.17 -175.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 72' ' ' THR . 25.7 m -50.2 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.2 m -114.37 120.32 39.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.502 ' HA ' HG22 ' A' ' 72' ' ' THR . 43.9 ttm -56.18 138.35 50.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.815 HD11 ' HB ' ' A' ' 73' ' ' VAL . 67.6 mt -105.7 149.42 26.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -130.85 136.3 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -45.82 131.27 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.49 -36.18 4.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.407 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -52.18 141.97 17.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -90.27 165.11 14.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -143.67 110.75 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.458 ' HB2' HG22 ' A' ' 108' ' ' VAL . 45.0 tt0 -105.21 106.21 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.407 ' O ' HD11 ' A' ' 57' ' ' ILE . 97.0 m-85 -93.12 103.49 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 89.91 -93.72 1.91 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER 177.23 57.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.388 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t -174.04 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -99.33 123.37 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.458 HG22 ' HB2' ' A' ' 102' ' ' GLN . 4.6 t -129.58 118.28 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -113.94 174.17 6.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -133.79 117.74 17.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 1.7 t80 -79.84 141.68 35.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.863 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -137.89 154.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -135.24 98.73 12.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.472 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.05 -2.21 12.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.956 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 67.3 mt -108.47 142.31 25.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.709 ' OH ' HG11 ' A' ' 112' ' ' VAL . 48.1 p90 -129.11 168.29 16.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 111' ' ' PHE . 17.0 mt -117.12 111.08 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 15' ' ' VAL . 8.0 p -92.19 103.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.9 tt0 -46.03 131.65 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.3 mt -116.94 161.9 18.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -49.34 176.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.02 -4.54 15.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.45 -15.67 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 39.24 3.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 152.07 46.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.48 161.5 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.559 ' CD1' HG23 ' A' ' 50' ' ' ILE . 29.8 m-85 -155.69 97.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 136.01 46.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.835 ' CD2' HD11 ' A' ' 50' ' ' ILE . 20.6 mt -97.11 79.91 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' A' ' 11' ' ' LEU . 8.8 mt-30 -46.81 154.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 16.6 mt -50.3 168.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.65 -146.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 t -103.26 135.54 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.618 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.7 m -129.1 94.61 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.7 130.36 36.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 50' ' ' ILE . 25.0 t -100.48 167.56 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 133.95 -153.6 20.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 52' ' ' LEU . 74.6 p -107.35 18.79 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.42 161.01 19.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.618 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.835 HD11 ' CD2' ' A' ' 33' ' ' LEU . 7.1 mt -107.93 147.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -129.8 98.7 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 42' ' ' THR . 95.5 mt -102.9 154.36 19.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -134.21 118.27 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.99 161.9 32.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.84 -1.55 6.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 18.7 mm -83.6 152.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.522 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -115.7 179.24 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.99 -60.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -102.15 76.74 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.427 ' CD2' ' OG1' ' A' ' 82' ' ' THR . 3.1 t60 -61.3 -72.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.15 158.35 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -98.25 151.72 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 33' ' ' LEU . 6.3 mt -130.22 90.17 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -92.5 121.34 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 61.2 t30 -97.52 116.87 30.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 1.063 ' O ' HG12 ' A' ' 70' ' ' VAL . 40.1 mmm -118.81 95.58 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.39 5.61 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 125.4 -24.37 5.89 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.063 HG12 ' O ' ' A' ' 67' ' ' MET . 13.8 p -73.81 135.69 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.535 HG12 HD12 ' A' ' 95' ' ' LEU . 25.1 t -127.48 138.99 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.667 HG22 ' HA ' ' A' ' 94' ' ' MET . 3.7 p -129.86 123.33 30.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.661 HG13 HD13 ' A' ' 89' ' ' ILE . 3.0 p -82.13 120.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.6 m -120.34 106.14 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.87 3.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -86.39 -16.78 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -128.82 136.77 50.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 ttt -71.32 -41.67 69.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.92 -40.66 66.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 97.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -73.36 112.83 9.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.427 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 23.0 m -121.2 108.72 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 55.7 m-85 -113.91 121.04 42.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 59.5 t -97.76 91.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.6 t0 82.4 38.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.98 17.48 80.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -126.85 117.59 22.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.1 ttt180 -72.44 153.61 41.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.661 HD13 HG13 ' A' ' 73' ' ' VAL . 7.7 pt -120.81 152.37 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -18.2 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -142.56 -175.94 4.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.234 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.424 ' CG2' ' HB ' ' A' ' 72' ' ' THR . 20.0 m -55.8 108.87 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 73' ' ' VAL . 9.4 m -112.64 123.26 49.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.667 ' HA ' HG22 ' A' ' 72' ' ' THR . 10.1 ttp -61.29 140.02 58.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 73' ' ' VAL . 69.2 mt -104.87 149.35 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -131.34 169.04 16.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -73.19 130.29 39.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.39 -26.26 25.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.465 ' CE ' HG11 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -59.47 142.5 52.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -88.8 157.53 18.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -133.85 119.59 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -116.54 106.44 13.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' A' ' 101' ' ' LEU . 15.0 m-85 -98.6 85.86 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 109.57 -96.57 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 177.28 57.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 110.409 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 t -175.82 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -99.77 119.8 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 24.1 t -120.44 136.75 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 41.6 m-85 -130.43 174.85 9.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HE3' ' CG2' ' A' ' 112' ' ' VAL . 9.4 tttt -139.61 115.76 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.7 t80 -79.85 136.57 36.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.709 HG11 ' OH ' ' A' ' 13' ' ' TYR . 15.5 t -134.22 151.57 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.32 104.1 43.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -129.01 154.55 80.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -75.0 134.62 18.03 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CD2' HD21 ' A' ' 30' ' ' LEU . 48.2 p90 -128.8 166.42 19.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.806 HD12 HD21 ' A' ' 33' ' ' LEU . 35.6 mt -117.53 110.05 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 15' ' ' VAL . 7.3 p -93.05 106.91 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' ' 17' ' ' LEU . 21.7 tt0 -47.84 135.53 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 16' ' ' GLU . 12.0 mt -118.76 163.86 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -55.45 175.08 0.21 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.5 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.02 -14.17 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 38.01 6.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -68.46 154.19 42.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.601 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -121.46 128.48 52.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.68 ' CD2' HG23 ' A' ' 50' ' ' ILE . 2.9 m-30 -113.54 77.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 4.0 mmt180 -52.39 128.92 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.806 HD21 HD12 ' A' ' 14' ' ' LEU . 18.9 mt -93.0 67.95 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' HA ' HD22 ' A' ' 11' ' ' LEU . 10.3 mt-30 -35.67 147.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 34' ' ' GLN . 6.4 mt -44.47 169.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 36.2 t 66.95 -178.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.22 147.69 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 46.9 m -137.06 105.92 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -70.07 140.76 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG22 HD12 ' A' ' 50' ' ' ILE . 43.5 t -123.84 153.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 137.73 -146.95 18.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 52' ' ' LEU . 57.7 p -110.54 14.59 22.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.54 156.12 23.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.68 HG23 ' CD2' ' A' ' 31' ' ' TYR . 80.1 mt -94.55 143.88 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -135.08 99.37 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.639 ' O ' HG22 ' A' ' 42' ' ' THR . 57.4 mt -99.7 151.53 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -136.03 114.14 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.9 160.81 31.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 96.94 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.08 3.62 8.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.6 mm -82.61 152.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.512 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.61 178.81 0.89 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -59.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -102.76 77.54 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.5 t60 -63.53 -68.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' SG ' HG23 ' A' ' 73' ' ' VAL . 19.6 p -154.83 178.83 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -134.87 121.49 20.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.477 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -86.31 108.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.5 m -95.0 105.38 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 43.4 t-20 -90.05 110.92 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 1.028 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -114.7 96.25 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.16 7.5 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.28 -26.99 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.028 HG12 ' O ' ' A' ' 67' ' ' MET . 14.0 p -73.14 126.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.523 HG12 HD12 ' A' ' 95' ' ' LEU . 16.0 t -113.91 138.03 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 94' ' ' MET . 51.8 p -131.66 119.66 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.828 HG13 HD13 ' A' ' 89' ' ' ILE . 6.4 p -74.11 117.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.585 ' OG1' HG23 ' A' ' 92' ' ' THR . 44.1 m -115.8 104.33 52.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.449 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.0 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -116.73 35.15 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.48 149.62 52.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 8.7 ptp -98.5 59.82 1.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' MET . 4.3 m-20 162.34 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.569 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -60.62 103.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 3.8 mp0 -84.35 124.63 31.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.735 HG21 HG21 ' A' ' 73' ' ' VAL . 4.1 m -127.94 101.79 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 57.7 m-85 -101.55 115.45 30.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.474 HG12 ' SD ' ' A' ' 99' ' ' MET . 63.1 t -87.88 91.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 22.3 t0 78.27 30.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.37 30.15 22.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 4.7 mt-30 -141.13 110.86 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -68.92 144.39 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.828 HD13 HG13 ' A' ' 73' ' ' VAL . 6.4 pt -110.32 156.94 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.1 p -113.99 -21.92 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -142.91 -175.27 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.585 HG23 ' OG1' ' A' ' 74' ' ' THR . 28.4 m -53.85 108.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 m -113.85 122.06 45.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.649 ' HA ' HG22 ' A' ' 72' ' ' THR . 50.9 ttm -59.35 141.08 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.523 HD12 HG12 ' A' ' 71' ' ' VAL . 76.7 mt -104.26 142.71 34.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 p -57.95 127.52 32.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.84 -36.62 4.24 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.474 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.98 147.58 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.02 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -90.23 165.0 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -135.42 114.62 12.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 8.5 tt0 -113.82 111.64 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 92.0 m-85 -111.82 84.91 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.41 31.09 12.08 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.426 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 13.0 p 38.83 33.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 m -122.39 -58.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -104.44 122.23 45.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 17' ' ' LEU . 45.4 t -108.74 139.36 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' LEU . 24.1 m-85 -139.34 160.73 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.16 118.36 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 4.5 t80 -85.16 133.92 34.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' HD3' ' A' ' 110' ' ' LYS . 25.0 t -135.11 144.08 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -111.98 103.41 55.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -22.42 14.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.776 HD13 ' HA ' ' A' ' 34' ' ' GLN . 74.8 mt -107.9 148.25 37.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.839 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 47.5 p90 -137.83 168.03 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 101' ' ' LEU . 2.9 mt -117.22 118.28 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.62 HG23 HD23 ' A' ' 30' ' ' LEU . 9.3 p -102.62 108.03 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.9 tt0 -47.5 135.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.4 mt -116.15 163.81 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.29 172.06 0.36 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -110.9 -16.15 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.7 32.67 7.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -67.51 154.81 40.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.745 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.98 154.34 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.519 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 25.4 m-85 -150.15 106.34 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 123.49 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.66 78.93 9.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.776 ' HA ' HD13 ' A' ' 11' ' ' LEU . 28.6 mt-30 -60.09 159.39 9.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' SER . 9.0 mt -41.26 156.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.78 161.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.7 p -68.34 145.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 m -125.41 104.49 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 40.2 mp0 -77.11 121.93 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' HB ' ' A' ' 50' ' ' ILE . 90.3 t -101.31 153.61 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.73 -148.39 20.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 52' ' ' LEU . 66.8 p -110.34 -13.24 14.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 162.07 27.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' A' ' 40' ' ' VAL . 85.6 mt -82.12 127.0 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -116.57 98.76 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.878 ' O ' HG22 ' A' ' 42' ' ' THR . 74.4 mt -97.92 143.98 27.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 10.5 m-85 -133.64 113.83 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.39 163.72 32.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.15 2.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.11 42.32 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.469 HG22 HG23 ' A' ' 42' ' ' THR . 1.6 mm -119.75 152.58 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -113.38 177.58 1.15 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -74.99 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 76' ' ' ARG . 2.2 t-160 -101.68 76.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.597 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 4.4 t60 -64.71 -70.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 74' ' ' THR . 17.1 p -154.73 174.82 14.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -124.46 152.44 43.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mt -124.81 102.46 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 79.0 m -99.69 120.98 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.521 ' HA ' HG22 ' A' ' 71' ' ' VAL . 63.6 t30 -92.96 106.85 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -119.09 107.71 13.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.98 20.51 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.66 -27.3 21.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.71 141.86 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 66' ' ' ASN . 49.3 t -129.38 146.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.5 p -134.95 119.59 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.852 ' HB ' HD11 ' A' ' 95' ' ' LEU . 6.6 p -71.48 126.74 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 52.5 m -128.0 108.04 20.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.22 7.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 17.8 mmm180 -88.34 -16.11 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.4 m -132.79 135.97 46.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -41.48 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -33.9 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.597 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -68.18 99.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.1 mp0 -71.49 116.76 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.6 m -127.19 108.66 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 35.5 m-85 -113.59 120.1 39.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.496 HG12 ' SD ' ' A' ' 99' ' ' MET . 93.9 t -95.12 91.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.9 OUTLIER 80.57 38.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.14 12.96 83.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.3 mt-30 -120.99 118.21 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.552 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.7 ttt180 -74.54 152.92 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.498 HD13 HG13 ' A' ' 73' ' ' VAL . 12.7 pt -117.13 174.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.99 18.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.04 -174.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.528 HG22 ' HB ' ' A' ' 72' ' ' THR . 30.7 m -53.72 104.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -113.56 123.4 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.676 ' HA ' HG22 ' A' ' 72' ' ' THR . 44.9 ttm -53.64 144.19 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.852 HD11 ' HB ' ' A' ' 73' ' ' VAL . 82.7 mt -116.23 142.4 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -124.18 137.27 54.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -45.75 128.79 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 -40.35 2.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.496 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -43.82 143.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -90.09 164.95 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -145.85 108.89 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.416 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 19.9 tt0 -98.27 115.88 29.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 97.9 m-85 -110.01 102.73 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.59 36.62 48.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 105' ' ' THR . 10.0 t 35.88 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.5 t -149.24 -46.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.425 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 30.3 m-70 -100.32 105.05 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.52 129.7 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -129.77 168.44 16.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.618 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -128.6 116.27 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.524 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 1.8 t80 -79.62 137.96 37.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.839 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.89 156.65 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -136.79 95.61 12.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.521 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 34' ' ' GLN . 21.9 mt -100.72 154.39 37.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.96 141.63 27.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.875 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 42.7 p90 -138.71 166.66 23.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' CA ' ' A' ' 111' ' ' PHE . 2.7 mt -116.5 123.02 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 15' ' ' VAL . 9.9 p -107.47 102.21 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.6 tt0 -38.75 137.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.2 mt -118.12 167.49 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.0 171.25 5.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.47 11.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 2.01 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 45.01 11.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.31 155.55 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.74 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.85 146.1 51.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.514 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 35.8 m-85 -140.37 102.76 4.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -73.04 135.88 44.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 64' ' ' LEU . 39.1 mt -97.41 80.53 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.6 ' HA ' HD13 ' A' ' 11' ' ' LEU . 32.6 mt-30 -64.65 155.85 32.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.1 mt -50.66 110.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 156.35 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.665 HG12 ' OE2' ' A' ' 39' ' ' GLU . 2.1 t -100.57 109.57 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.62 HG23 ' HA ' ' A' ' 49' ' ' SER . 19.3 m -104.55 108.26 19.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.665 ' OE2' HG12 ' A' ' 37' ' ' VAL . 1.4 mp0 -86.35 126.75 34.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG22 ' HB ' ' A' ' 50' ' ' ILE . 59.4 t -98.06 147.09 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.29 -139.04 8.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 52' ' ' LEU . 81.0 p -117.69 18.93 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -118.39 170.46 8.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.62 ' HA ' HG23 ' A' ' 38' ' ' THR . 36.6 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.547 ' HB ' HG22 ' A' ' 40' ' ' VAL . 96.4 mt -100.18 117.29 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.486 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 39.0 tt0 -118.22 102.24 8.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 42' ' ' THR . 9.4 mt -108.6 165.82 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 22.6 m-85 -139.91 122.29 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.57 159.49 30.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 94.03 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 125.78 0.37 7.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.56 1.163 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 16.4 mm -81.07 152.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -115.11 178.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.01 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.433 ' NE2' ' OD2' ' A' ' 63' ' ' ASP . 7.1 t-160 -100.43 76.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.648 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.54 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.5 t60 -63.12 -62.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.95 168.97 18.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' NE2' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -117.86 137.86 52.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.519 ' HB3' HD13 ' A' ' 33' ' ' LEU . 4.9 mt -113.27 91.89 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.513 ' O ' ' CE ' ' A' ' 67' ' ' MET . 79.7 m -92.95 132.5 37.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' ND2' HD23 ' A' ' 35' ' ' LEU . 38.1 t-20 -103.1 110.69 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.85 103.12 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.5 m-20 60.84 48.91 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.05 76.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 68' ' ' ASP . 21.8 t -127.67 129.64 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.243 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.477 HG12 HD12 ' A' ' 95' ' ' LEU . 42.0 t -122.37 140.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.92 HG22 ' HA ' ' A' ' 94' ' ' MET . 5.7 p -137.99 118.76 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.685 ' HB ' HD11 ' A' ' 95' ' ' LEU . 7.2 p -68.29 122.98 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.517 ' OG1' HG23 ' A' ' 92' ' ' THR . 53.7 m -124.74 106.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -125.23 22.8 7.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.9 118.5 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.5 64.36 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 174.19 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -64.51 112.69 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mt-10 -85.15 120.19 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.54 HG21 HG21 ' A' ' 73' ' ' VAL . 92.2 m -121.67 109.89 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 79.7 m-85 -114.0 117.63 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.547 HG12 ' SD ' ' A' ' 99' ' ' MET . 98.2 t -92.61 91.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.5 t0 79.58 35.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.43 12.31 80.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.5 116.5 25.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.3 ttt180 -71.88 152.6 42.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.651 HD13 HG13 ' A' ' 73' ' ' VAL . 6.7 pt -114.13 170.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 m -139.36 13.28 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 89' ' ' ILE . 3.8 pt-20 176.74 -174.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' OG1' ' A' ' 74' ' ' THR . 17.3 m -54.29 101.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.5 m -110.26 118.92 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.92 ' HA ' HG22 ' A' ' 72' ' ' THR . 30.7 ttm -52.93 141.9 20.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.685 HD11 ' HB ' ' A' ' 73' ' ' VAL . 74.4 mt -109.36 146.46 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -125.25 144.95 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -54.34 127.91 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.51 -42.21 1.98 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.547 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -42.96 148.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -88.98 160.0 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -132.59 114.4 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.232 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -107.13 123.16 47.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.726 ' CE1' HD12 ' A' ' 101' ' ' LEU . 18.4 m-85 -118.89 78.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.69 34.6 11.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p 38.92 50.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -146.24 -49.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -108.83 97.7 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 40.8 t -93.43 132.62 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -132.16 173.72 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.617 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -131.78 115.5 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 2.1 t80 -80.54 142.23 34.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.875 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 1.1 m -134.94 157.65 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -136.23 93.02 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.528 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -10.82 21.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 27.5 mt -118.28 137.16 24.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.541 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.2 Cg_endo -74.98 140.14 25.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.92 ' C ' HD13 ' A' ' 14' ' ' LEU . 49.1 p90 -143.5 165.15 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.92 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -113.03 130.11 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG23 HD23 ' A' ' 30' ' ' LEU . 9.2 p -110.49 119.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 17' ' ' LEU . 14.9 tt0 -50.74 129.36 22.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 110' ' ' LYS . 10.6 mt -117.98 162.53 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 170.46 0.48 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -113.17 -15.88 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.97 47.26 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 110.002 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -66.94 152.43 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.383 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.22 150.49 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 74.3 m-85 -143.77 111.47 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 141.59 28.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD13 ' HB3' ' A' ' 64' ' ' LEU . 68.0 mt -99.22 81.27 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.85 157.96 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.3 mt -42.73 163.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.31 -149.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.762 HG22 ' OG1' ' A' ' 65' ' ' THR . 61.7 t -112.82 156.83 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.643 HG23 ' HA ' ' A' ' 49' ' ' SER . 15.3 m -138.64 99.29 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 28.5 mp0 -77.49 118.34 19.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 41' ' ' GLY . 23.8 t -97.29 162.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 136.09 -129.72 5.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 52' ' ' LEU . 71.1 p -125.42 6.06 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.66 149.99 33.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.643 ' HA ' HG23 ' A' ' 38' ' ' THR . 63.2 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.624 HG22 ' CD2' ' A' ' 52' ' ' LEU . 30.5 mt -88.03 126.32 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.504 ' C ' HD13 ' A' ' 52' ' ' LEU . 53.0 tt0 -119.87 99.31 6.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.624 ' CD2' HG22 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -102.64 170.85 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 51' ' ' GLN . 9.7 m-85 -146.06 115.45 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.75 164.47 34.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.575 1.172 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.15 19.23 8.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -102.54 152.41 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.531 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -118.6 179.97 0.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.531 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.5 Cg_endo -75.03 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 6.5 t-160 -101.29 75.32 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 4.9 t60 -60.25 -69.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.4 p -153.56 167.79 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -114.67 140.02 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.733 ' HB3' HD13 ' A' ' 33' ' ' LEU . 6.0 mt -117.27 90.82 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.762 ' OG1' HG22 ' A' ' 37' ' ' VAL . 31.4 m -94.66 150.19 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -117.95 106.08 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 65' ' ' THR . 66.2 mmm -119.39 97.49 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 70' ' ' VAL . 5.5 t70 67.56 54.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.34 20.33 50.35 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 68' ' ' ASP . 21.2 t -115.84 138.14 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.541 HG21 ' HG2' ' A' ' 12' ' ' PRO . 66.9 t -135.74 137.17 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.818 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.5 p -137.33 119.21 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.684 HG13 HD13 ' A' ' 89' ' ' ILE . 2.6 p -67.1 117.03 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.451 ' OG1' HG23 ' A' ' 92' ' ' THR . 50.4 m -116.76 107.2 46.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.21 -22.28 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 m -126.93 132.43 50.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtt -68.51 -35.07 76.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.33 -37.62 81.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -67.45 98.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.3 mp0 -66.73 119.54 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -127.08 104.59 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 42.1 m-85 -106.67 115.85 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.619 HG21 HG11 ' A' ' 73' ' ' VAL . 50.1 t -94.56 91.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.0 t70 80.58 35.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.54 26.33 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 5.0 mt-30 -136.96 116.4 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 4.9 ttt-85 -71.32 133.27 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.684 HD13 HG13 ' A' ' 73' ' ' VAL . 10.6 pt -101.37 153.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -114.24 -18.92 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -143.26 -176.24 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' OG1' ' A' ' 74' ' ' THR . 78.6 m -54.4 105.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.0 m -108.08 133.94 51.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.818 ' HA ' HG22 ' A' ' 72' ' ' THR . 33.4 ttm -67.41 150.92 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 101' ' ' LEU . 38.8 mt -109.87 135.42 50.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -123.9 139.82 53.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 111' ' ' PHE . 4.7 p -45.76 128.54 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.27 -40.37 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.618 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -44.86 143.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -97.56 134.17 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.623 HD23 ' HE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -109.32 107.14 17.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -106.92 122.13 45.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.623 ' HE1' HD23 ' A' ' 101' ' ' LEU . 3.6 m-30 -109.65 84.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.422 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 104.92 -92.24 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 176.94 57.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 110.381 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.1 p -170.38 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -100.2 112.41 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -124.8 118.88 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.522 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 53.8 m-85 -119.29 158.64 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.1 tttt -111.98 117.32 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.484 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.4 t80 -77.99 126.64 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.492 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 24.2 t -130.04 146.08 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.75 101.84 50.51 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.515 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -3.9 14.6 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 31.0 mt -105.44 152.56 39.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.05 140.86 25.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.869 ' CE1' HG11 ' A' ' 112' ' ' VAL . 49.4 p90 -139.6 166.91 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.695 HD23 ' HA ' ' A' ' 111' ' ' PHE . 5.1 mt -114.81 116.38 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 15' ' ' VAL . 9.3 p -101.03 105.71 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 12.7 tt0 -42.04 133.1 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.4 mt -110.33 162.67 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 171.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.22 -12.64 12.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.27 38.32 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.065 -0.398 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CD ' ' OH ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -67.4 152.3 45.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.72 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.35 154.6 48.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' OH ' ' CD ' ' A' ' 29' ' ' LYS . 40.6 m-85 -152.97 104.44 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -73.14 134.44 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.31 77.82 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.39 153.7 43.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.9 mt -45.88 109.14 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER 159.55 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 p -108.16 111.75 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.956 HG23 ' HA ' ' A' ' 49' ' ' SER . 17.7 m -99.8 101.63 12.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.01 111.02 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG13 HD21 ' A' ' 52' ' ' LEU . 58.9 t -89.36 148.31 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.67 -139.05 7.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.525 HG23 HG22 ' A' ' 57' ' ' ILE . 61.6 p -122.11 1.51 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -111.28 159.61 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.956 ' HA ' HG23 ' A' ' 38' ' ' THR . 9.0 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.587 HG22 HD21 ' A' ' 52' ' ' LEU . 83.3 mt -91.45 135.26 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.574 ' C ' HD13 ' A' ' 52' ' ' LEU . 4.4 tt0 -128.67 104.09 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -105.85 168.96 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.92 113.2 7.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.38 160.78 30.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 99.51 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 121.4 6.05 9.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 42' ' ' THR . 14.4 mm -88.36 152.43 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.509 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -115.88 179.08 0.84 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.01 -59.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -100.66 76.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.6 t60 -62.55 -70.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.9 p -153.07 176.31 12.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -128.84 123.1 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 14' ' ' LEU . 9.2 mt -94.5 99.75 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.505 ' O ' ' CE ' ' A' ' 67' ' ' MET . 92.0 m -101.44 133.32 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.434 ' CG ' ' CD2' ' A' ' 35' ' ' LEU . 39.4 t-20 -103.65 110.92 23.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.63 99.84 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.928 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.5 m-20 60.54 61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.94 27.64 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 68' ' ' ASP . 4.7 t -127.35 131.03 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.549 HG12 HD12 ' A' ' 95' ' ' LEU . 40.7 t -123.23 139.41 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.745 HG22 ' HA ' ' A' ' 94' ' ' MET . 16.8 p -137.58 118.86 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.711 HG13 HD13 ' A' ' 89' ' ' ILE . 5.4 p -69.57 121.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.594 ' OG1' HG23 ' A' ' 92' ' ' THR . 8.9 m -122.08 107.01 35.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -116.81 25.08 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.36 120.45 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.42 62.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t0 172.15 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.71 111.5 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 12.0 mt-10 -87.64 123.14 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.468 HG21 HG21 ' A' ' 73' ' ' VAL . 43.7 m -122.7 100.69 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 71.6 m-85 -99.59 113.21 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 55.6 t -87.95 92.08 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.8 t0 80.16 25.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.98 22.92 29.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.18 110.7 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -69.56 143.11 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.711 HD13 HG13 ' A' ' 73' ' ' VAL . 22.8 pt -105.06 174.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -140.96 14.29 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER 175.71 -175.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.594 HG23 ' OG1' ' A' ' 74' ' ' THR . 9.1 m -52.74 104.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.451 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.8 m -115.94 122.31 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.745 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.9 150.56 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 71' ' ' VAL . 68.0 mt -117.43 147.99 42.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -127.73 145.82 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -56.21 129.52 40.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.04 -36.4 4.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -47.42 139.58 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 2.0 mtm105 -88.9 140.1 29.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.787 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -112.54 114.75 27.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -119.31 118.13 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.787 ' CE1' HD12 ' A' ' 101' ' ' LEU . 11.4 m-85 -112.75 101.3 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 70.52 34.0 67.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' GLY . 1.9 t 38.75 51.22 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.2 t -137.3 -56.13 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -108.34 106.5 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 33.7 t -97.49 132.77 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 28.4 m-85 -132.5 177.54 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HE3' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -138.31 112.65 8.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.695 ' HA ' HD23 ' A' ' 14' ' ' LEU . 2.0 t80 -78.32 142.43 37.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.869 HG11 ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -135.24 156.34 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -134.95 93.12 17.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.519 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 114' ' ' PRO . 11.6 mt -103.94 135.81 19.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.02 140.73 25.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.829 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 17.5 p90 -134.84 165.13 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD12 HD21 ' A' ' 33' ' ' LEU . 4.7 mt -114.25 108.47 16.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.65 HG12 ' HE2' ' A' ' 110' ' ' LYS . 8.0 p -92.41 113.65 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -51.89 128.53 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.19 164.08 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -59.07 173.99 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.93 0.98 8.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -123.08 21.85 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.86 47.61 87.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.988 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.56 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 155.56 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.797 HD21 ' CG ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -126.98 125.94 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE2' ' CE2' ' A' ' 109' ' ' PHE . 13.8 m-30 -112.59 103.3 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HA ' ' HB3' ' A' ' 13' ' ' TYR . 4.3 mtt180 -73.53 138.47 45.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.577 ' CD2' HD11 ' A' ' 50' ' ' ILE . 22.2 mt -103.87 102.56 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.94 176.7 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.6 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.41 160.13 25.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p 87.53 -144.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.731 HG23 ' OD1' ' A' ' 63' ' ' ASP . 1.4 p -113.0 151.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 49' ' ' SER . 23.1 m -133.83 100.91 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.446 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.51 128.55 35.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.636 HG22 ' HB ' ' A' ' 50' ' ' ILE . 36.5 t -105.57 168.73 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.523 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 132.22 -149.26 19.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 52' ' ' LEU . 69.3 p -105.92 -14.16 15.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.408 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.56 157.21 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.473 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.636 ' HB ' HG22 ' A' ' 40' ' ' VAL . 64.5 mt -91.81 124.48 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -113.15 113.66 25.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.754 ' O ' HG22 ' A' ' 42' ' ' THR . 69.7 mt -113.62 151.86 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.447 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 38.2 m-85 -134.36 120.22 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.93 160.42 32.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.01 4.04 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -89.99 152.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.49 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -114.98 177.57 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -106.12 77.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.579 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.9 t60 -65.17 -68.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.8 p -156.71 170.99 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.731 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -126.57 126.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.454 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -91.08 115.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 36' ' ' SER . 5.3 m -103.47 102.26 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' HA ' HG22 ' A' ' 71' ' ' VAL . 64.8 t30 -85.84 106.17 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -119.42 119.12 33.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.49 17.97 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.31 -29.05 11.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.2 t -74.51 140.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 56.1 t -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 94' ' ' MET . 5.8 p -137.84 120.05 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 93' ' ' THR . 3.1 p -71.3 125.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.7 m -124.69 102.63 32.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.455 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.0 122.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -123.83 33.85 5.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.97 140.74 47.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.439 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.7 ptp -91.85 61.34 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 78' ' ' MET . 2.4 m-20 163.25 -28.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.579 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -59.84 108.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.2 mp0 -86.47 125.3 33.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 73' ' ' VAL . 91.2 m -127.59 105.23 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 76.1 m-85 -108.52 117.21 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 92.3 t -87.67 92.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' VAL . 1.7 m-20 65.37 44.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.66 28.66 56.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -136.37 105.9 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -68.49 151.01 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.631 HD13 HG13 ' A' ' 73' ' ' VAL . 6.2 pt -115.41 158.23 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -130.99 7.56 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.21 -178.67 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.497 HG22 ' HB ' ' A' ' 72' ' ' THR . 6.7 m -50.06 103.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.638 ' O ' HG12 ' A' ' 73' ' ' VAL . 8.0 m -114.48 125.65 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.56 ' HA ' HG22 ' A' ' 72' ' ' THR . 5.1 ttp -62.55 145.43 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.611 HD11 ' HB ' ' A' ' 73' ' ' VAL . 78.4 mt -111.86 146.13 38.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.75 142.21 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -53.49 128.94 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.75 -17.71 48.9 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.463 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -71.47 143.44 50.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.6 mtm-85 -89.25 163.03 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -141.73 107.06 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 108' ' ' VAL . 24.8 tt0 -100.13 106.11 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.539 ' CZ ' HD22 ' A' ' 101' ' ' LEU . 96.9 m-85 -96.45 88.13 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.447 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 103.18 -93.74 1.05 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.447 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 176.13 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -177.21 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 50.2 m-70 -103.06 112.63 25.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 102' ' ' GLN . 9.6 t -121.95 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.469 ' CE2' ' CE2' ' A' ' 31' ' ' TYR . 9.3 m-85 -122.59 169.21 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.65 ' HE2' HG12 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -127.41 117.53 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 5.5 t80 -79.47 140.38 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.829 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -139.78 153.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -136.65 102.98 9.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.437 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -3.17 13.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 91.0 mt -102.52 144.56 28.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.02 144.52 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 31.9 p90 -141.52 170.59 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.609 ' CD2' HD13 ' A' ' 101' ' ' LEU . 3.1 mt -115.52 119.8 37.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.675 HG12 ' HD2' ' A' ' 110' ' ' LYS . 8.5 p -102.53 101.91 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 24.8 tt0 -40.24 136.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.1 mt -118.72 165.73 13.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.406 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -61.47 173.33 0.79 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.34 -18.38 13.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.95 5.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.005 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 153.32 43.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.736 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.23 149.5 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 43.5 m-85 -144.99 114.97 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -82.14 117.1 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.7 mt -77.16 80.06 3.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.59 152.48 26.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.0 mt -43.53 164.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.6 m 87.38 -150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 63' ' ' ASP . 21.4 t -111.02 146.31 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.529 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.2 m -132.85 106.68 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -78.47 134.6 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.611 ' CG2' HD22 ' A' ' 64' ' ' LEU . 23.7 t -112.89 162.27 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 130.06 -138.23 10.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 52' ' ' LEU . 68.6 p -115.67 10.86 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.92 167.93 10.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.529 ' HA ' HG23 ' A' ' 38' ' ' THR . 90.7 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' HB ' HG22 ' A' ' 40' ' ' VAL . 50.0 mt -85.2 129.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.24 103.45 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' THR . 27.3 mt -104.23 164.86 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 22.5 m-85 -143.17 117.7 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.21 157.98 28.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 134.28 -9.71 4.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 103' ' ' PHE . 12.9 mm -72.25 152.48 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.483 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -112.4 177.14 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.459 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 10.9 t-160 -98.66 75.53 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.598 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.2 t60 -64.7 -71.96 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.8 p -148.72 175.43 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.266 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 1.4 m-20 -132.81 116.78 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.611 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -84.78 121.25 27.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.4 m -121.79 116.68 24.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.452 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -85.23 106.44 16.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.415 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 85.4 mmm -118.97 98.3 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.768 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.29 76.94 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.85 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 68' ' ' ASP . 73.4 t -136.61 147.54 27.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.482 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 64.6 t -129.91 147.14 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.791 HG22 ' HA ' ' A' ' 94' ' ' MET . 18.1 p -138.01 120.01 15.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.775 HG13 HD13 ' A' ' 89' ' ' ILE . 3.7 p -74.75 114.33 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.693 ' OG1' HG23 ' A' ' 92' ' ' THR . 91.6 m -113.89 104.49 55.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -124.37 28.35 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.13 131.18 48.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.7 60.24 6.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.01 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.598 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.19 107.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 9.7 mp0 -84.1 121.34 27.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 115.82 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 39.4 m-85 -116.49 118.9 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 71.5 t -90.24 91.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.5 t0 79.05 30.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.55 22.67 46.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -128.57 111.03 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 110.352 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' HB2' ' CE2' ' A' ' 83' ' ' TYR . 9.0 ttt-85 -71.68 131.43 43.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.775 HD13 HG13 ' A' ' 73' ' ' VAL . 9.2 pt -101.55 152.9 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.238 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.02 -17.14 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -142.93 -177.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.693 HG23 ' OG1' ' A' ' 74' ' ' THR . 91.8 m -54.12 105.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.416 ' HB ' HD13 ' A' ' 89' ' ' ILE . 20.4 m -110.35 134.88 51.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.791 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -65.56 150.98 47.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.739 HD11 ' HB ' ' A' ' 73' ' ' VAL . 81.0 mt -118.17 141.14 48.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -125.97 144.3 50.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 p -52.22 130.17 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.51 -31.96 8.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.63 142.81 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.747 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -90.12 163.97 14.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.609 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -144.25 106.73 4.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.482 ' OE1' HG22 ' A' ' 105' ' ' THR . 0.7 OUTLIER -95.73 119.8 34.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.604 ' O ' HD11 ' A' ' 57' ' ' ILE . 97.2 m-85 -113.6 93.24 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 78.8 36.26 29.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.482 HG22 ' OE1' ' A' ' 102' ' ' GLN . 16.3 p 37.11 42.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -144.78 -46.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.409 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 62.5 m-70 -106.86 98.99 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.612 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.39 123.51 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 6.7 m-85 -120.83 172.87 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.675 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -130.89 117.92 19.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CA ' HD23 ' A' ' 14' ' ' LEU . 2.7 t80 -78.92 135.78 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.847 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.31 155.12 41.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.19 101.62 9.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -0.99 10.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 41.9 mt -105.24 151.1 39.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.97 141.39 26.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.807 ' CE2' HG11 ' A' ' 112' ' ' VAL . 49.4 p90 -139.54 168.31 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 111' ' ' PHE . 8.2 mt -118.78 121.39 39.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 28' ' ' PRO . 10.0 p -106.39 105.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 5.9 tt0 -41.77 132.49 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.454 ' HB2' HG12 ' A' ' 108' ' ' VAL . 8.1 mt -112.86 161.71 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.423 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.36 173.79 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -74.99 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.48 -5.35 15.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.33 36.88 19.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.031 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.94 154.79 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.696 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.94 149.99 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 40.2 m-85 -146.69 105.83 3.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.09 124.75 27.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -87.96 75.77 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' A' ' 11' ' ' LEU . 64.2 mt-30 -63.11 163.53 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -43.82 165.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 87.27 -155.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.1 p -117.62 143.76 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.632 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.9 m -123.35 103.39 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -75.12 119.07 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG22 ' HB ' ' A' ' 50' ' ' ILE . 92.6 t -95.18 168.05 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.552 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.33 -145.86 17.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 52' ' ' LEU . 33.0 p -112.43 -10.92 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.59 150.71 26.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 tptm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.632 ' HA ' HG23 ' A' ' 38' ' ' THR . 41.2 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.652 ' HB ' HG22 ' A' ' 40' ' ' VAL . 51.9 mt -87.25 119.28 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' C ' HD13 ' A' ' 52' ' ' LEU . 7.3 tt0 -114.52 98.51 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 42' ' ' THR . 0.4 OUTLIER -97.9 167.47 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -146.95 112.35 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.65 160.7 30.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.15 3.42 8.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -84.15 152.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.484 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -114.5 177.46 1.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -60.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 12.2 t-160 -99.4 75.94 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.55 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -64.42 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.414 ' HG ' ' HE1' ' A' ' 103' ' ' PHE . 18.9 p -148.09 176.34 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.262 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 2.4 m-20 -136.2 122.4 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.515 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -91.54 116.53 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.441 ' OG1' HG23 ' A' ' 37' ' ' VAL . 68.9 m -116.42 118.75 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -84.88 106.67 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.08 97.88 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 70' ' ' VAL . 3.9 m-20 70.0 59.65 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.25 20.08 9.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 68' ' ' ASP . 74.9 t -125.11 146.47 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 53.5 t -127.39 143.45 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.819 HG22 ' HA ' ' A' ' 94' ' ' MET . 17.6 p -136.77 120.16 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.605 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.5 p -69.71 124.37 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -124.11 105.46 31.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.11 8.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.4 mmm180 -120.73 19.99 11.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.1 122.24 35.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -79.53 62.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.7 m-20 171.41 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.55 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -61.34 121.51 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 15.7 mt-10 -91.1 122.02 33.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.5 HG23 ' CE1' ' A' ' 103' ' ' PHE . 91.5 m -128.17 102.89 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 36.1 m-85 -107.19 118.88 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 60.7 t -92.94 92.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.6 t70 83.51 29.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.16 23.01 53.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -133.11 112.45 11.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.19 151.84 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 73' ' ' VAL . 27.0 pt -112.96 174.51 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -141.81 17.81 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER 175.53 -174.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.0 m -57.65 102.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.8 m -110.16 129.21 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.819 ' HA ' HG22 ' A' ' 72' ' ' THR . 42.6 ttm -58.37 149.78 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.605 HD11 ' HB ' ' A' ' 73' ' ' VAL . 62.6 mt -117.67 141.39 48.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.06 158.63 25.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 p -70.46 120.16 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.01 -31.08 7.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.03 143.85 9.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -88.62 147.1 24.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.21 115.62 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.366 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.4 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 12.5 tt0 -115.25 111.52 21.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 83.2 m-85 -114.07 86.79 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.46 26.02 24.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.4 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 5.5 t 39.31 51.49 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -146.09 -49.67 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -108.66 93.89 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 17' ' ' LEU . 46.4 t -87.12 137.35 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -134.75 170.1 16.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -132.1 112.45 12.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.95 ' HA ' HD23 ' A' ' 14' ' ' LEU . 2.6 t80 -78.55 136.41 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.807 HG11 ' CE2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -130.03 156.6 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -135.86 93.13 15.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.98 -3.98 14.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 92.3 mt -111.42 146.82 35.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.611 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.966 ' CD1' HD21 ' A' ' 30' ' ' LEU . 50.1 p90 -141.19 164.44 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.867 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -117.07 139.2 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 16' ' ' GLU . 5.9 p -115.07 106.68 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' CD2' ' A' ' 109' ' ' PHE . 29.7 tt0 -35.05 122.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.2 mt -122.18 167.03 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 167.61 29.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -2.99 13.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.03 -15.87 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.65 42.86 3.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.967 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.21 151.36 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.966 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -123.46 157.73 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 21.6 m-85 -150.77 111.93 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 2.0 mtt-85 -89.65 142.33 27.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.638 HD21 HD13 ' A' ' 64' ' ' LEU . 75.7 mt -100.28 78.38 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -67.51 167.91 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 15.4 mt -40.75 158.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 85.99 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.7 p -105.18 139.72 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.7 m -117.05 122.13 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -97.65 126.47 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.701 ' CG1' HD23 ' A' ' 52' ' ' LEU . 11.8 t -103.98 148.37 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.76 -141.35 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 52' ' ' LEU . 51.3 p -116.05 7.71 14.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.779 . . . . 0.0 110.449 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 160.07 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 tptt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.434 ' HA ' HG23 ' A' ' 38' ' ' THR . 19.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.908 HG22 ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -92.44 127.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.87 110.91 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.908 ' CD2' HG22 ' A' ' 50' ' ' ILE . 4.0 mm? -108.05 135.82 48.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.25 113.21 18.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.88 166.51 39.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.54 2.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.75 16.83 6.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 5.4 mm -101.63 152.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.562 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -121.83 -178.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.96 -58.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -102.34 74.6 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.592 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 4.8 t60 -57.64 -68.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.2 p -152.68 164.23 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -111.07 132.96 53.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.638 HD13 HD21 ' A' ' 33' ' ' LEU . 3.5 mt -112.66 110.4 20.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.5 m -108.13 146.88 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -119.37 107.38 13.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -118.68 99.15 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.69 22.08 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.68 -18.62 56.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.3 143.58 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.611 HG21 ' HG2' ' A' ' 12' ' ' PRO . 48.0 t -135.22 136.95 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.804 HG22 ' HA ' ' A' ' 94' ' ' MET . 10.0 p -136.68 119.03 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 89' ' ' ILE . 3.3 p -69.09 119.5 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.589 HG23 ' OG1' ' A' ' 92' ' ' THR . 61.9 m -119.61 105.37 43.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.22 5.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -119.56 30.84 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.19 124.02 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.4 ttp -80.14 60.42 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.8 m-20 170.47 -32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.494 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -65.68 102.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 13.6 mp0 -75.83 125.72 29.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.406 HG21 HG21 ' A' ' 73' ' ' VAL . 3.2 m -127.91 110.98 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.543 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 37.3 m-85 -115.47 116.62 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.6 t -92.75 91.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.3 t70 82.7 31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.93 7.35 84.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -114.65 115.11 26.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.543 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 8.1 ttt180 -69.71 153.28 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.564 HD13 HG13 ' A' ' 73' ' ' VAL . 7.0 pt -124.25 150.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.64 -15.22 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -142.33 -177.61 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.589 ' OG1' HG23 ' A' ' 74' ' ' THR . 20.1 m -56.61 102.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.6 m -103.63 130.53 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.804 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -63.3 156.3 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.507 HD13 HD11 ' A' ' 101' ' ' LEU . 29.8 mt -116.02 138.43 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -120.91 154.87 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.5 p -67.74 122.23 17.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.16 -32.79 6.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.7 142.69 49.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 109' ' ' PHE . 2.6 mtm-85 -88.56 151.44 22.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -125.97 106.17 9.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.505 ' HG3' HG12 ' A' ' 108' ' ' VAL . 2.6 tt0 -91.41 133.35 35.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 101' ' ' LEU . 14.7 m-85 -124.07 71.28 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 96.73 39.13 4.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.491 ' CG2' ' CE2' ' A' ' 83' ' ' TYR . 17.7 p 32.41 45.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.6 p -144.37 -47.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -122.81 105.0 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.616 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.58 ' C ' ' CD1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -104.24 165.18 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 30.4 m-85 -150.18 160.52 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -111.98 112.83 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 2.4 t80 -79.08 129.51 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.9 t -127.78 145.29 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -112.16 97.55 39.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.453 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 -4.81 15.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.037 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -155.66 96.74 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 0.79 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -133.34 -61.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.13 173.92 14.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.98 157.22 26.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.966 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -145.82 102.55 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.06 80.49 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.127 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.04 -16.15 20.28 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.479 1.778 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.8 2.84 52.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.26 60.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 19.7 mt -100.16 155.02 36.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -74.97 137.75 22.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.655 ' CD2' HD21 ' A' ' 30' ' ' LEU . 37.3 p90 -131.53 163.23 28.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.7 mt -115.34 109.47 17.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 15' ' ' VAL . 7.2 p -92.68 102.73 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 17' ' ' LEU . 25.4 tt0 -45.59 133.27 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.6 mt -118.34 163.68 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -51.85 174.27 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.39 -11.13 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 41.11 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 t -124.13 161.16 26.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.977 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -88.84 107.49 19.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 t -55.88 179.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.09 15.35 17.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.6 -175.82 3.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -95.45 110.98 53.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 161.86 38.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.78 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.07 153.3 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.655 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.97 139.22 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 64.1 m-85 -131.82 97.81 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -70.07 110.53 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' HD11 ' A' ' 50' ' ' ILE . 32.0 mt -73.46 88.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HA ' HD13 ' A' ' 11' ' ' LEU . 47.7 mt-30 -71.95 158.24 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.8 mt -40.09 157.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.2 m 85.59 163.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.511 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.4 p -71.08 138.57 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 23.3 m -121.3 103.98 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 23.3 mp0 -72.78 139.55 47.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG2' HD22 ' A' ' 64' ' ' LEU . 16.5 t -114.3 168.12 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 127.05 -151.51 18.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 52' ' ' LEU . 69.2 p -104.52 -17.65 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -79.94 157.68 26.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.47 98.15 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.412 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 17.3 m-85 -88.46 -57.11 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.31 162.13 13.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -63.29 -38.32 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -113.27 60.84 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.6 p -103.98 175.24 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 40' ' ' VAL . 15.8 mt -95.3 119.61 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -112.3 98.87 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.771 ' O ' HG22 ' A' ' 42' ' ' THR . 89.7 mt -103.34 143.66 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.85 112.25 13.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.36 159.84 30.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.02 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.11 15.19 7.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -99.08 152.8 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -112.43 175.11 1.99 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.05 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 1.7 t-160 -107.67 78.69 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.488 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.4 t60 -69.64 -70.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.78 168.62 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.495 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.2 m-20 -127.12 121.82 32.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -88.09 115.36 25.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.511 ' OG1' HG23 ' A' ' 37' ' ' VAL . 60.7 m -115.44 118.31 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -92.61 106.6 18.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 mmt -118.76 97.46 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 1.021 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER 67.55 68.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.14 27.11 2.46 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.436 1.085 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 68' ' ' ASP . 46.3 t -130.62 134.32 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 95' ' ' LEU . 21.6 t -124.89 139.09 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.1 p -133.51 125.04 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.388 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.59 HG13 HD13 ' A' ' 89' ' ' ILE . 2.7 p -70.27 124.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -122.92 105.29 35.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -78.91 -22.77 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -127.55 132.95 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -35.97 78.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.32 -40.18 89.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.488 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -63.61 97.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 12.7 mp0 -67.35 120.25 13.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.7 m -128.26 110.18 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 81' ' ' GLU . 28.7 m-85 -113.46 118.46 34.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.51 HG21 HG11 ' A' ' 73' ' ' VAL . 57.3 t -92.27 91.72 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER 80.67 37.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.67 18.72 77.02 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -127.58 115.86 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.59 154.12 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.59 HD13 HG13 ' A' ' 73' ' ' VAL . 13.7 pt -120.65 166.1 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 m -135.44 10.33 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -174.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.496 HG22 ' HB ' ' A' ' 72' ' ' THR . 36.8 m -51.46 107.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.419 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.3 m -113.8 118.69 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.919 ' HA ' HG22 ' A' ' 72' ' ' THR . 37.1 ttm -52.92 139.48 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 71' ' ' VAL . 76.5 mt -107.31 143.73 35.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -129.28 154.57 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -62.18 125.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.1 -34.43 5.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 95' ' ' LEU . 4.3 mtm -55.57 135.09 51.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.761 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -89.07 160.93 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -138.87 107.68 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.571 HE21 HG22 ' A' ' 105' ' ' THR . 14.3 tt0 -96.01 116.6 29.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -109.19 106.45 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 69.0 35.3 78.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.571 HG22 HE21 ' A' ' 102' ' ' GLN . 18.8 p 37.7 56.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.37 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.6 p -166.5 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -100.96 93.96 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.433 HG12 ' HB2' ' A' ' 17' ' ' LEU . 40.5 t -98.02 135.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' LEU . 17.6 m-85 -135.38 154.78 51.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.472 ' HD3' HG23 ' A' ' 112' ' ' VAL . 0.2 OUTLIER -118.4 119.47 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 2.6 t80 -86.64 133.64 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.527 HG11 ' OH ' ' A' ' 13' ' ' TYR . 11.1 t -132.37 143.0 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -113.18 104.89 55.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.01 -13.15 21.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -60.84 -47.83 84.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.43 143.45 6.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 71.63 4.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t 51.89 88.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.947 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.26 143.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -110.38 132.62 54.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 m -134.89 -58.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.1 140.92 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.98 167.62 18.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.78 . . . . 0.0 110.048 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -145.06 102.22 3.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.73 -169.58 36.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -22.46 15.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 10' ' ' LYS . 2.1 pt-20 -102.74 45.17 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -165.02 30.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 34' ' ' GLN . 31.4 mt -95.85 155.04 38.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.96 29.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' HD2' HD21 ' A' ' 30' ' ' LEU . 23.6 p90 -135.45 161.79 34.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 11.7 mt -117.95 108.63 15.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.733 HG23 HD23 ' A' ' 30' ' ' LEU . 9.1 p -92.89 105.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' HD23 ' A' ' 17' ' ' LEU . 22.8 tt0 -48.19 132.12 16.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.6 mt -118.44 164.07 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.79 171.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.42 13.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.2 -6.34 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.26 38.45 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -120.02 159.54 24.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.01 75.68 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -150.07 54.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.68 57.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t0 66.52 179.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -65.11 111.92 7.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 164.45 33.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 152.11 46.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.733 HD23 HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -130.92 150.5 52.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -148.35 102.05 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.34 112.11 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 14' ' ' LEU . 22.8 mt -73.48 88.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.564 ' HA ' HD13 ' A' ' 11' ' ' LEU . 51.1 mt-30 -72.57 159.28 34.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.5 mt -40.17 156.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.4 m 85.83 162.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.7 p -67.63 147.99 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 m -131.92 103.13 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 49.5 mp0 -73.14 136.53 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.62 ' CG2' HD22 ' A' ' 64' ' ' LEU . 54.0 t -113.14 168.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.538 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 129.4 -146.63 17.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 52' ' ' LEU . 16.3 p -112.79 8.28 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.33 175.24 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 110.08 12.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 19.9 m-85 -104.54 -67.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.49 -168.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -79.07 -45.32 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -115.26 62.99 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.2 p -87.58 149.78 24.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.569 HD12 HG22 ' A' ' 40' ' ' VAL . 50.5 mt -74.62 113.57 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.42 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' THR . 0.8 OUTLIER -127.02 167.36 16.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -145.62 122.22 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.59 158.0 29.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.78 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.422 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 129.85 -4.14 6.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.0 mm -79.45 152.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.49 175.89 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.02 -53.83 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.569 ' CE1' ' CE2' ' A' ' 45' ' ' PHE . 1.2 t-160 -104.82 77.63 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.56 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.27 -71.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 74' ' ' THR . 25.2 p -148.74 165.81 30.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -122.76 115.98 22.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -85.28 113.1 21.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.567 ' OG1' HG23 ' A' ' 37' ' ' VAL . 89.0 m -114.9 122.05 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -94.57 106.68 18.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -118.97 98.83 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.944 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.3 t70 67.09 61.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.79 23.87 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 68' ' ' ASP . 25.0 t -125.68 136.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 95' ' ' LEU . 46.0 t -125.92 136.94 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.793 HG22 ' HA ' ' A' ' 94' ' ' MET . 31.5 p -131.37 120.28 22.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.627 HG13 HD13 ' A' ' 89' ' ' ILE . 4.2 p -68.48 124.83 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.506 HG23 ' OG1' ' A' ' 92' ' ' THR . 38.0 m -127.98 108.21 20.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -73.84 -22.63 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.0 m -129.87 140.05 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.7 mtp -70.78 -44.25 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -36.19 25.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.36 105.81 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 8.4 mp0 -79.37 114.7 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -120.93 105.55 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 88' ' ' ARG . 48.8 m-85 -106.05 115.46 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.498 HG12 ' SD ' ' A' ' 99' ' ' MET . 92.7 t -87.2 91.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER 74.98 31.46 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.01 46.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.1 mt-30 -127.9 111.09 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -71.47 132.99 45.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.627 HD13 HG13 ' A' ' 73' ' ' VAL . 26.8 pt -98.24 169.0 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.82 10.62 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.4 pt-20 -177.36 -175.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.506 ' OG1' HG23 ' A' ' 74' ' ' THR . 48.9 m -55.39 102.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.427 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.8 m -109.84 131.66 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.793 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -60.99 150.04 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.592 HD11 ' HB ' ' A' ' 73' ' ' VAL . 75.7 mt -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -133.25 145.8 50.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 p -52.87 128.3 26.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.23 -38.72 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.498 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -52.36 137.15 29.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 111.028 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -91.23 155.71 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -133.52 108.69 8.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.441 ' HB2' HG22 ' A' ' 108' ' ' VAL . 9.0 tt0 -102.98 106.53 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 101' ' ' LEU . 12.9 m-30 -92.31 97.03 10.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 97.92 -95.87 1.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER 178.26 57.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -179.1 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -101.25 119.52 38.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.583 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 102' ' ' GLN . 11.1 t -123.92 147.09 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 24.1 m-85 -139.45 150.68 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.27 118.69 34.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.496 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 2.7 t80 -86.87 135.92 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 23.6 t -134.42 147.59 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -114.77 103.2 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.502 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -8.24 19.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -60.47 -46.55 89.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.47 -135.42 8.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 125.18 9.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.67 -56.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.989 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.43 158.48 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.95 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -116.68 159.58 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.38 83.36 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.99 133.74 2.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -133.93 147.85 51.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -81.27 88.41 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.75 -144.19 12.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.63 20.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.04 24.6 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -152.62 43.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.643 HD22 ' CD2' ' A' ' 35' ' ' LEU . 90.2 mt -121.36 150.76 55.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.04 137.86 22.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.602 ' CD2' HD21 ' A' ' 30' ' ' LEU . 49.6 p90 -134.44 168.42 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 64' ' ' LEU . 16.8 mt -120.18 109.0 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 15' ' ' VAL . 8.0 p -92.59 102.62 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 22.0 tt0 -44.51 135.4 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.1 mt -118.96 164.77 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.29 172.34 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.72 -3.38 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.58 38.96 11.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.5 p -124.21 162.8 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.28 113.19 24.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.49 167.16 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.84 51.49 2.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.24 -171.65 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -98.31 109.79 53.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.95 162.53 37.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 152.53 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.37 161.28 31.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 44.1 m-85 -155.38 102.01 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -69.58 117.77 11.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD22 HG21 ' A' ' 38' ' ' THR . 13.0 mt -83.31 79.9 9.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.409 ' HA ' HD13 ' A' ' 11' ' ' LEU . 24.9 mt-30 -54.31 166.96 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.643 ' CD2' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.56 103.87 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 96.9 p 172.44 -134.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.47 104.65 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.417 HG21 HD22 ' A' ' 33' ' ' LEU . 2.0 m -98.64 101.63 13.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -83.47 125.17 31.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 ' HB ' ' A' ' 50' ' ' ILE . 85.2 t -101.85 151.25 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.38 -139.56 9.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 52' ' ' LEU . 70.9 p -118.91 8.22 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 0.809 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -105.47 173.05 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.22 140.43 52.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -138.71 -62.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -101.09 165.9 11.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.94 -41.58 97.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -103.68 62.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p -101.5 164.39 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 40' ' ' VAL . 87.1 mt -101.57 117.58 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -112.98 98.83 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.695 ' O ' HG22 ' A' ' 42' ' ' THR . 52.3 mt -103.17 147.07 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -129.48 117.29 20.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.12 162.85 33.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 102.65 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 114.86 20.53 5.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.21 152.73 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 2.0 mm-40 -115.75 177.59 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -98.33 75.37 2.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.603 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.5 t60 -63.24 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' THR . 30.9 p -154.91 171.08 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -124.88 112.24 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 14' ' ' LEU . 5.7 mt -85.14 95.17 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.5 m -100.22 147.77 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.536 ' HB3' HD13 ' A' ' 35' ' ' LEU . 57.7 t-20 -114.05 107.4 15.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.25 98.44 6.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER 65.97 75.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.48 30.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 68' ' ' ASP . 51.1 t -136.25 131.11 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 95' ' ' LEU . 7.7 t -120.75 138.8 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 94' ' ' MET . 21.5 p -133.74 120.77 20.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 89' ' ' ILE . 3.5 p -66.75 123.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.428 HG23 ' OG1' ' A' ' 92' ' ' THR . 33.8 m -121.7 104.85 38.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.02 115.96 4.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -90.28 -1.71 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -131.72 131.53 43.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mtt -76.3 -23.99 54.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.33 -30.44 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.603 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -66.93 102.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.557 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.1 mt-10 -74.83 117.71 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.432 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 2.1 m -127.63 105.57 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 23.4 m-85 -107.71 116.57 32.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.3 t -87.72 91.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.9 t0 79.76 26.75 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.21 7.44 62.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.86 114.94 26.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -69.09 152.12 45.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 73' ' ' VAL . 6.4 pt -120.69 153.1 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 32.1 t -121.96 -4.22 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 90' ' ' SER . 36.7 mt-10 -158.98 -173.6 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.428 ' OG1' HG23 ' A' ' 74' ' ' THR . 14.8 m -58.92 105.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -110.48 136.36 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.618 ' HA ' HG22 ' A' ' 72' ' ' THR . 15.3 ttm -65.0 153.7 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.46 HD12 HG12 ' A' ' 71' ' ' VAL . 81.3 mt -119.21 146.16 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -134.04 132.59 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -42.45 132.36 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.83 -31.01 9.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.438 ' SD ' HG12 ' A' ' 84' ' ' VAL . 1.4 mtm -59.16 138.6 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 158.05 17.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -134.25 107.02 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 13.6 tt0 -101.37 115.49 30.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 96.1 m-85 -109.9 101.2 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.68 35.44 51.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 20.6 p 37.74 52.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t -156.44 -54.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -93.12 98.72 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 17' ' ' LEU . 24.7 t -101.85 133.57 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 17.7 m-85 -136.56 156.67 48.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.473 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.1 121.26 40.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 3.5 t80 -89.69 136.49 33.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 25.1 t -134.86 150.79 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -119.94 102.5 46.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -18.64 18.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -61.71 -50.49 72.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.55 144.03 8.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 114.03 3.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -147.58 104.47 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 51.86 100.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -55.54 130.26 42.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.754 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -135.06 95.49 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.82 151.51 8.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.61 135.25 4.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.94 89.19 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.81 95.75 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.46 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -74.15 58.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.55 -39.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.878 HD22 ' HA ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -68.36 153.0 96.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' O ' HD12 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 134.98 18.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD1' HD21 ' A' ' 30' ' ' LEU . 50.6 p90 -125.32 168.91 12.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD12 HD21 ' A' ' 33' ' ' LEU . 27.5 mt -119.35 112.23 19.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 15' ' ' VAL . 10.0 p -96.37 105.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' HD23 ' A' ' 17' ' ' LEU . 23.8 tt0 -48.47 138.4 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.632 ' HB2' HG12 ' A' ' 108' ' ' VAL . 13.4 mt -121.64 165.43 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.88 174.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.783 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -14.55 12.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.51 6.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 t -124.08 163.44 21.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.014 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -94.18 98.9 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -59.89 177.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -86.04 52.35 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.52 177.48 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -94.14 113.93 61.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.29 42.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.52 153.64 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -122.63 132.2 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.424 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.6 m-85 -119.06 77.71 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.454 ' NH1' ' CD2' ' A' ' 30' ' ' LEU . 1.7 mmt-85 -51.54 128.92 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.669 HD21 HD12 ' A' ' 14' ' ' LEU . 18.3 mt -90.91 62.03 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.878 ' HA ' HD22 ' A' ' 11' ' ' LEU . 25.7 mt-30 -37.04 143.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.8 mt -39.81 158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 84.62 164.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 11.5 p -68.9 136.71 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.495 HG23 ' HA ' ' A' ' 49' ' ' SER . 99.6 m -120.01 108.71 14.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 119.82 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.659 ' CG2' HD22 ' A' ' 64' ' ' LEU . 58.0 t -96.08 167.68 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.535 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 123.05 -154.93 17.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.98 HG22 ' O ' ' A' ' 52' ' ' LEU . 80.9 p -105.69 -7.28 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -87.78 148.87 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 101.85 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 43' ' ' GLU . 26.0 m-85 -91.34 -69.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -98.61 173.82 6.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -40.39 69.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -106.71 63.77 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.495 ' HA ' HG23 ' A' ' 38' ' ' THR . 64.3 p -106.51 -173.61 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' CD2' ' A' ' 33' ' ' LEU . 36.0 mt -114.57 119.19 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -109.65 112.66 24.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.98 ' O ' HG22 ' A' ' 42' ' ' THR . 75.6 mt -115.29 140.12 49.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -124.97 112.67 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.63 159.75 28.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.12 8.56 9.4 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.5 mm -84.72 152.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -111.67 176.59 1.45 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -53.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.464 ' CE1' ' CE2' ' A' ' 45' ' ' PHE . 1.7 t-160 -106.5 78.84 1.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.3 t60 -67.64 -68.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 74' ' ' THR . 14.8 p -153.47 174.12 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -130.05 117.67 20.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.659 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -84.84 111.37 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.4 m -105.55 112.91 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' HD2' ' A' ' 12' ' ' PRO . 52.0 t-20 -90.91 107.24 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mmt -117.95 114.15 22.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 54.81 25.61 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.42 -24.59 31.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.44 138.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 0.781 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.654 HG12 HD12 ' A' ' 95' ' ' LEU . 24.9 t -123.26 144.74 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.727 HG22 ' HA ' ' A' ' 94' ' ' MET . 9.9 p -137.67 120.81 16.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.645 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.8 p -73.19 126.21 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 91.0 m -128.77 107.51 18.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.451 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.99 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 -22.84 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -129.58 142.12 50.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -46.49 56.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.45 -34.87 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.51 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -71.45 104.83 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.04 122.47 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.233 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -127.2 100.81 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 88' ' ' ARG . 37.7 m-85 -98.65 115.49 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 89.2 t -86.76 91.55 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.7 t0 79.21 25.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.34 22.86 28.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -132.11 110.87 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 ttm180 -69.51 144.03 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.623 HD13 HG13 ' A' ' 73' ' ' VAL . 13.4 pt -108.33 168.98 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -136.27 10.7 3.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' O ' HD12 ' A' ' 89' ' ' ILE . 4.2 pt-20 -176.97 -178.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.8 m -51.14 104.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.437 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG12 ' A' ' 73' ' ' VAL . 4.4 m -112.9 125.01 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.727 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -59.9 146.28 42.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.654 HD12 HG12 ' A' ' 71' ' ' VAL . 83.2 mt -112.95 144.39 42.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -127.52 143.87 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 p -51.28 128.3 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.26 -34.43 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.438 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -53.82 140.47 30.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.986 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.0 147.96 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.575 HD13 HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -122.52 107.15 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.4 tt0 -102.44 116.4 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CZ ' HD22 ' A' ' 101' ' ' LEU . 97.7 m-85 -107.9 106.81 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.23 37.23 94.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.413 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 1.7 t 37.99 53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.8 m -152.14 -47.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -103.46 113.36 26.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.632 HG12 ' HB2' ' A' ' 17' ' ' LEU . 54.8 t -112.63 134.27 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 29.1 m-85 -142.25 142.03 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -104.7 111.92 24.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 1.7 t80 -80.04 132.7 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.7 t -132.47 153.54 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.97 101.45 45.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -9.57 20.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.6 t -61.36 -48.37 81.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 110.33 144.31 10.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.11 16.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.22 146.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 t -175.6 130.99 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.15 116.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.22 147.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.86 -73.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -94.09 161.67 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -132.31 109.37 9.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.64 119.99 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -75.04 -14.25 21.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -102.55 38.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.35 23.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.807 HD22 ' HA ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -129.96 158.11 74.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.569 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.3 Cg_endo -74.97 133.99 17.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.721 ' CD1' HD21 ' A' ' 30' ' ' LEU . 51.6 p90 -130.06 164.54 24.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.891 HD21 HD13 ' A' ' 101' ' ' LEU . 11.8 mt -109.65 146.24 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 110' ' ' LYS . 13.5 p -133.03 107.49 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 17' ' ' LEU . 21.8 tt0 -50.91 135.2 24.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 16' ' ' GLU . 13.1 mt -120.66 164.98 15.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -56.08 173.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.99 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 -13.25 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.09 5.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -124.2 163.21 22.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -95.58 100.02 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -177.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.29 14.68 13.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -124.99 146.69 49.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -65.66 112.44 8.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.6 41.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.24 155.22 40.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.2 131.5 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 52' ' ' LEU . 2.8 m-85 -119.84 83.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.54 136.0 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' GLN . 12.9 mt -95.11 57.83 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.807 ' HA ' HD22 ' A' ' 11' ' ' LEU . 28.0 mt-30 -36.7 144.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -39.93 158.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 85.85 163.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.4 p -67.56 127.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -111.29 109.25 19.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' OE1' ' CD2' ' A' ' 60' ' ' HIS . 2.4 mt-10 -71.25 132.35 44.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.695 ' CG2' HD22 ' A' ' 64' ' ' LEU . 61.0 t -110.57 155.51 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.76 -157.0 21.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.912 HG22 ' O ' ' A' ' 52' ' ' LEU . 66.2 p -105.06 20.87 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.537 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -114.6 169.62 8.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -124.51 114.65 19.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 43' ' ' GLU . 90.3 m-85 -114.56 -59.98 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.98 162.96 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -58.17 -46.44 85.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -115.64 64.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.6 p -92.29 179.95 5.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' HG13 ' A' ' 40' ' ' VAL . 29.0 mt -100.56 115.26 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.0 105.28 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.912 ' O ' HG22 ' A' ' 42' ' ' THR . 48.7 mt -108.46 155.58 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -140.14 116.69 10.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.79 160.52 31.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.01 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.2 8.09 7.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 103' ' ' PHE . 14.2 mm -88.87 152.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.428 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -112.67 174.14 2.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 58' ' ' GLN . 18.6 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.481 ' HE2' ' CG ' ' A' ' 63' ' ' ASP . 18.4 t-160 -103.76 77.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.6 t60 -69.41 -68.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.614 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.4 p -154.36 173.05 16.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.481 ' CG ' ' HE2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -131.04 115.51 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.695 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -84.7 109.11 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 37' ' ' VAL . 84.9 m -105.37 114.56 28.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.441 ' HB3' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -89.01 105.89 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.43 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 4.3 mmt -119.47 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 1.019 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.31 71.43 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.44 28.05 1.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 68' ' ' ASP . 48.9 t -132.5 139.76 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.627 HG12 HD12 ' A' ' 95' ' ' LEU . 24.8 t -130.23 145.8 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.742 HG22 ' HA ' ' A' ' 94' ' ' MET . 20.3 p -136.9 119.69 16.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.671 HG13 HD13 ' A' ' 89' ' ' ILE . 2.7 p -67.34 125.91 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.1 m -127.85 104.01 21.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.02 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 60' ' ' HIS . 23.7 mmm-85 -113.51 23.36 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.86 127.92 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.414 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -82.7 60.46 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.2 m-20 171.24 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.458 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -60.53 103.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 10.4 mm-40 -77.32 125.78 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -128.5 107.66 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 51.2 m-85 -108.68 113.61 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 84.1 t -89.68 91.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.5 t0 78.94 28.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.64 54.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -125.48 113.12 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 7.7 ttt-85 -71.84 131.31 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.671 HD13 HG13 ' A' ' 73' ' ' VAL . 6.9 pt -94.15 165.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -134.15 9.34 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.9 pt-20 -178.94 -175.11 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 72' ' ' THR . 7.9 m -51.19 103.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.4 m -112.94 117.02 30.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.742 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.15 145.64 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.627 HD12 HG12 ' A' ' 71' ' ' VAL . 87.7 mt -111.96 146.44 37.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -131.91 146.25 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 p -54.72 127.24 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.09 -28.37 13.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.45 141.58 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -89.03 154.45 20.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.891 HD13 HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -129.16 107.1 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -96.1 131.43 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 90.2 m-85 -129.01 85.78 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 80.29 40.53 13.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 105' ' ' THR . 3.6 t 35.9 41.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 -51.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -97.15 103.52 15.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 17' ' ' LEU . 32.5 t -110.99 126.39 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 14.6 m-85 -134.98 142.96 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.794 ' O ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -101.62 120.13 39.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.9 t80 -81.84 138.75 35.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.582 HG11 ' OH ' ' A' ' 13' ' ' TYR . 25.4 t -132.45 150.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -124.0 104.0 33.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -24.42 12.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t -46.48 -53.82 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.8 143.55 11.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.89 6.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.9 t -154.25 143.61 21.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.48 152.08 51.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -117.49 -58.32 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.33 100.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.12 132.26 4.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.16 169.09 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 0.744 . . . . 0.0 110.035 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.47 98.41 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.54 66.64 2.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.504 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.93 -21.52 15.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.72 3.25 33.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.43 59.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 8' ' ' PRO . 19.5 mt -102.69 154.89 37.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.496 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.03 139.26 23.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.67 ' CD1' HD21 ' A' ' 30' ' ' LEU . 48.7 p90 -136.11 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.6 mt -117.9 109.74 16.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 15' ' ' VAL . 9.3 p -92.57 101.86 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.8 tt0 -42.86 136.22 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.5 mt -117.63 165.43 13.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 171.97 1.92 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 0.24 9.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.16 2.59 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.65 46.34 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 m -122.58 163.55 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.023 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -131.08 -179.09 5.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t 69.96 -167.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 63.44 15.54 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 167.66 -175.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -103.44 106.96 54.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 131.48 14.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.456 1.766 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.48 152.17 46.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.88 146.23 52.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 50.3 m-85 -136.76 96.75 3.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -69.29 116.65 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' CD2' HD11 ' A' ' 50' ' ' ILE . 15.9 mt -81.89 91.47 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 26.7 mt-30 -71.63 154.16 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.1 mt -39.77 157.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 86.01 166.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.884 HG23 ' OD1' ' A' ' 63' ' ' ASP . 10.5 p -71.87 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 97.3 m -120.39 104.54 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 10.9 mp0 -71.1 145.52 49.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.622 HG22 HD12 ' A' ' 50' ' ' ILE . 24.6 t -120.77 168.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.503 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 128.95 -142.84 13.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.3 p -116.58 9.53 14.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.67 167.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.24 108.57 13.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -99.97 -63.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.07 -167.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.07 -38.68 17.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -115.46 59.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.9 p -89.84 166.34 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.622 HD12 HG22 ' A' ' 40' ' ' VAL . 31.2 mt -94.48 124.12 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.84 104.69 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' PHE . 32.6 mt -107.68 162.73 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 9.0 m-85 -146.01 114.73 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.05 160.8 33.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.94 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.437 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 116.16 14.59 7.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -97.95 152.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.493 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.9 mm-40 -115.86 177.85 1.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 5.1 t-160 -101.96 77.25 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.61 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.452 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.3 t60 -65.54 -69.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.598 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' HG23 ' A' ' 73' ' ' VAL . 15.5 p -154.2 176.54 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.884 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -131.53 125.32 32.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.49 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -91.87 116.04 28.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.6 m -110.83 114.09 27.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 61.7 t30 -92.19 120.51 32.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 1.026 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -118.62 95.12 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.5 7.65 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.14 -28.67 4.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.026 HG12 ' O ' ' A' ' 67' ' ' MET . 14.8 p -72.93 131.84 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.536 HG12 HD12 ' A' ' 95' ' ' LEU . 42.4 t -117.31 140.53 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.691 HG22 ' HA ' ' A' ' 94' ' ' MET . 55.5 p -134.6 121.12 20.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.441 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.723 HG13 HD13 ' A' ' 89' ' ' ILE . 2.5 p -74.52 123.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.609 ' OG1' HG23 ' A' ' 92' ' ' THR . 85.8 m -122.97 105.71 34.57 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 129.82 12.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -125.62 29.55 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.18 132.14 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.75 61.71 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' MET . 8.4 m-20 169.42 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -61.98 115.87 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mm-40 -89.78 127.9 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.644 HG21 HG21 ' A' ' 73' ' ' VAL . 25.6 m -128.2 102.42 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.623 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 70.1 m-85 -107.04 112.62 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 76.0 t -91.53 91.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 9.8 t0 82.91 33.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.85 18.62 69.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -127.31 112.48 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -66.51 152.76 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.723 HD13 HG13 ' A' ' 73' ' ' VAL . 10.4 pt -119.37 153.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.54 -5.89 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -156.93 -174.15 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.609 HG23 ' OG1' ' A' ' 74' ' ' THR . 71.4 m -56.05 104.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.42 ' O ' HG12 ' A' ' 73' ' ' VAL . 5.8 m -109.57 127.32 54.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.691 ' HA ' HG22 ' A' ' 72' ' ' THR . 4.2 ttp -60.78 156.9 16.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.536 HD12 HG12 ' A' ' 71' ' ' VAL . 69.5 mt -121.41 146.03 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -129.53 147.42 51.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -57.17 125.23 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.73 -36.69 4.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.59 146.35 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.436 ' NH2' ' OE1' ' A' ' 102' ' ' GLN . 0.7 OUTLIER -89.19 153.06 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.5 ' HA ' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -123.16 116.75 23.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' OE1' ' NH2' ' A' ' 100' ' ' ARG . 2.7 tt0 -107.9 125.33 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 84.7 m-85 -127.61 79.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.81 30.44 10.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.069 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.3 p 39.43 41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 p -142.71 -47.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -104.74 95.86 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.617 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 38.5 t -93.03 129.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 16.4 m-85 -125.23 173.15 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.482 ' HD3' HG23 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -133.56 118.28 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.487 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 3.8 t80 -84.44 134.61 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.482 HG23 ' HD3' ' A' ' 110' ' ' LYS . 5.0 t -134.53 146.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.47 104.88 51.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.06 -8.94 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -47.43 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.42 144.84 14.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 89.08 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.7 p -143.09 161.92 36.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.65 81.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p -140.92 141.03 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 p -128.97 97.13 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.88 -142.21 6.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -59.03 168.58 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -171.79 92.73 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.79 126.29 0.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.57 16.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.73 27.72 2.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' CD ' ' HA ' ' A' ' 115' ' ' SER . 3.9 mttm -156.11 45.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 89.3 mt -118.49 148.06 43.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.639 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.03 137.57 21.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.921 ' C ' HD13 ' A' ' 14' ' ' LEU . 40.4 p90 -140.67 162.8 34.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.921 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -110.07 123.29 49.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' LYS . 11.6 p -103.82 121.32 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 17' ' ' LEU . 12.6 tt0 -51.12 126.86 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 110' ' ' LYS . 5.4 mt -113.71 162.07 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.45 170.87 1.99 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -111.09 -17.09 13.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.43 41.87 2.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 p -123.41 158.16 31.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.489 ' CG ' HD22 ' A' ' 17' ' ' LEU . 1.1 m-20 -112.01 122.04 46.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.83 -157.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 65.05 72.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.1 t0 50.38 -175.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 112.5 8.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 160.43 40.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 152.24 46.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.22 160.93 33.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 61.0 m-85 -149.44 99.57 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 133.7 42.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.716 HD22 HD23 ' A' ' 64' ' ' LEU . 18.7 mt -100.71 106.37 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -81.58 158.31 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.905 HD23 ' HB3' ' A' ' 66' ' ' ASN . 16.6 mt -47.99 171.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m 78.14 -150.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.674 HG13 ' OD1' ' A' ' 63' ' ' ASP . 49.0 t -106.73 150.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.629 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.4 m -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.65 114.4 9.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 41' ' ' GLY . 41.6 t -92.28 167.84 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.513 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.85 -135.37 8.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 52' ' ' LEU . 15.8 p -122.88 8.56 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 157.7 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -110.32 111.57 22.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -104.72 -55.27 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -177.1 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.18 -38.81 50.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -95.46 48.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.629 ' HA ' HG23 ' A' ' 38' ' ' THR . 95.4 p -105.11 152.26 23.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.528 HG22 ' HG ' ' A' ' 52' ' ' LEU . 48.0 mt -93.62 128.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.99 99.02 6.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HG ' HG22 ' A' ' 50' ' ' ILE . 9.1 mt -107.02 164.74 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -144.34 117.65 9.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.65 35.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.44 21.85 5.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.5 mm -103.66 152.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.532 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -117.11 179.83 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -105.39 76.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.586 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.4 t60 -59.89 -60.12 4.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.5 178.4 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.674 ' OD1' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -132.91 121.17 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.716 HD23 HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -90.33 114.64 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.5 m -113.43 121.19 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.905 ' HB3' HD23 ' A' ' 35' ' ' LEU . 33.9 t-20 -96.05 105.97 18.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.158 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -119.54 97.55 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.95 ' O ' HG23 ' A' ' 70' ' ' VAL . 13.2 m-20 67.48 66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.1 30.43 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.95 HG23 ' O ' ' A' ' 68' ' ' ASP . 61.7 t -131.79 133.42 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.639 HG21 ' HG2' ' A' ' 12' ' ' PRO . 42.5 t -121.31 141.81 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.699 HG22 ' HA ' ' A' ' 94' ' ' MET . 23.7 p -137.33 119.17 15.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.62 HG13 HD13 ' A' ' 89' ' ' ILE . 2.3 p -68.85 115.83 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.881 ' OG1' HG23 ' A' ' 92' ' ' THR . 58.8 m -117.79 105.28 47.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -114.49 29.51 7.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.72 122.74 27.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.415 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.1 tpt -77.92 60.5 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.22 -32.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -64.0 112.94 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 24.7 mm-40 -86.13 129.65 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 73' ' ' VAL . 21.8 m -128.82 106.05 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.618 ' CE2' HG23 ' A' ' 105' ' ' THR . 52.5 m-85 -108.31 115.51 30.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 80.5 t -96.16 91.63 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.6 t0 79.21 33.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.61 26.32 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -133.3 113.45 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' CD ' ' OE1' ' A' ' 81' ' ' GLU . 7.6 ttt-85 -71.42 139.47 49.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.62 HD13 HG13 ' A' ' 73' ' ' VAL . 11.2 pt -108.15 150.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.65 -14.05 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -143.13 -175.06 4.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.881 HG23 ' OG1' ' A' ' 74' ' ' THR . 85.6 m -59.15 105.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 73' ' ' VAL . 21.2 m -104.56 134.23 48.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.699 ' HA ' HG22 ' A' ' 72' ' ' THR . 32.6 ttm -66.6 155.23 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD12 HG12 ' A' ' 71' ' ' VAL . 65.5 mt -118.64 140.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.89 142.27 47.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.45 132.32 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.43 -49.05 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -38.52 138.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 16.6 mtp180 -89.29 155.4 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -131.51 106.83 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' OE1' ' CG2' ' A' ' 108' ' ' VAL . 6.6 tt0 -100.35 123.99 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.496 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 90.7 m-85 -120.07 78.05 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 98.03 35.83 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.618 HG23 ' CE2' ' A' ' 83' ' ' TYR . 6.1 p 36.31 36.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 p -133.25 -57.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 78.0 m-70 -97.88 108.14 20.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.456 ' CG2' ' OE1' ' A' ' 102' ' ' GLN . 38.0 t -106.01 121.75 58.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 62.8 m-85 -121.62 164.73 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.53 ' HB2' HD11 ' A' ' 17' ' ' LEU . 9.1 tttt -119.64 120.63 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.495 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 7.3 t80 -78.27 134.03 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.493 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 54.2 t -135.27 147.2 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -113.61 96.33 40.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -7.0 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.465 ' HA ' ' CD ' ' A' ' 10' ' ' LYS . 13.0 t -63.8 -39.21 93.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.51 138.19 9.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.55 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.6 p -117.57 149.18 41.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.958 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.9 m -103.73 145.64 29.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -88.88 125.91 35.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -169.11 136.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.98 -148.99 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.54 -52.8 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.959 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.18 -76.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.93 123.25 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.68 5.99 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 10' ' ' LYS . 2.8 pt-20 -86.99 45.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 3.5 mttt -166.23 34.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 90.3 mt -103.95 144.15 28.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.5 Cg_endo -74.93 144.73 30.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.838 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 22.7 p90 -140.09 163.41 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD23 ' CA ' ' A' ' 111' ' ' PHE . 5.2 mt -110.82 111.22 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.759 HG22 ' HG2' ' A' ' 28' ' ' PRO . 7.4 p -94.93 108.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.0 tt0 -48.71 137.05 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 16' ' ' GLU . 8.8 mt -118.94 166.49 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -67.56 174.25 2.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.955 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -74.99 0.43 8.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.34 -19.14 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.02 41.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t -124.06 162.65 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.15 135.03 41.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -96.65 46.28 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 39.47 36.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.92 175.09 10.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.41 106.08 52.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.759 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.0 166.3 29.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 155.61 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.82 HD21 ' CG ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -128.75 156.86 42.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 25.2 m-85 -148.16 104.45 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 123.27 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD21 HD12 ' A' ' 14' ' ' LEU . 22.8 mt -82.51 75.1 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' LEU . 17.1 mt-30 -56.98 153.27 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.2 mt -39.37 157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER 86.39 162.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.786 HG23 ' OD1' ' A' ' 63' ' ' ASP . 13.4 p -70.91 142.28 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.865 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.2 m -126.46 103.99 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -75.92 128.97 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.709 HG22 ' HB ' ' A' ' 50' ' ' ILE . 48.3 t -103.78 167.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.66 -140.56 11.86 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 52' ' ' LEU . 68.0 p -115.49 -3.48 12.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 155.33 18.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.9 134.88 54.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -120.53 -38.18 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . 18.4 m-20 -176.77 126.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 3.6 m-20 -40.48 105.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 3.6 m-20 153.4 -21.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.865 ' HA ' HG23 ' A' ' 38' ' ' THR . 5.6 p -81.61 178.87 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.709 ' HB ' HG22 ' A' ' 40' ' ' VAL . 91.4 mt -98.75 145.95 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -135.13 98.93 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.659 ' O ' HG22 ' A' ' 42' ' ' THR . 30.6 mt -104.27 148.49 26.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.31 112.57 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.67 161.03 30.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.42 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.8 4.38 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm -85.23 152.71 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.1 mm-40 -113.9 177.74 1.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.1 Cg_endo -75.03 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -98.45 75.61 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.564 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.6 t60 -64.0 -71.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' THR . 24.0 p -149.09 173.5 13.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.786 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.46 123.52 29.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -93.33 117.24 29.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -113.73 121.02 42.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -91.66 106.71 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.48 105.91 12.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 67.64 23.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.77 -28.55 14.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -75.81 149.89 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.523 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 54.2 t -128.18 146.62 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 94' ' ' MET . 25.6 p -134.95 123.3 23.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.535 HG13 HD13 ' A' ' 89' ' ' ILE . 3.0 p -73.55 125.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 62.5 m -124.78 104.92 30.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.03 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.51 27.98 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.66 122.78 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -80.13 61.4 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.069 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.6 -32.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -59.74 123.35 16.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 65.6 mt-10 -98.38 117.62 33.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -127.18 108.49 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 43.3 m-85 -108.76 119.81 40.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 97.2 t -88.2 91.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.1 t0 81.97 28.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.97 10.79 66.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 2.9 mt-30 -118.94 115.84 25.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.4 ttt180 -70.17 152.68 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.535 HD13 HG13 ' A' ' 73' ' ' VAL . 7.4 pt -114.47 171.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.12 15.22 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 89' ' ' ILE . 5.0 pt-20 179.22 -176.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -57.44 103.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' HG12 ' A' ' 73' ' ' VAL . 5.4 m -111.57 132.05 54.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.649 ' HA ' HG22 ' A' ' 72' ' ' THR . 2.5 ttp -62.08 144.71 54.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' A' ' 73' ' ' VAL . 51.6 mt -110.24 147.48 33.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.421 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 5.6 mt-30 -127.28 151.79 48.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -63.48 128.26 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.7 -28.94 13.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.91 142.84 33.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -90.95 161.18 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.549 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -140.72 106.87 5.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.452 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.1 tt0 -99.83 109.29 21.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 98.3 m-85 -100.73 107.27 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 61.8 37.29 94.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.452 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 7.2 t 36.18 53.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -146.84 -55.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -106.29 110.81 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 17' ' ' LEU . 25.4 t -103.77 132.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.6 m-85 -132.08 164.32 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.603 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -125.75 117.65 23.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CE2' ' HB ' ' A' ' 71' ' ' VAL . 3.3 t80 -79.14 138.13 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.838 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -136.24 154.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.57 102.26 9.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.464 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -7.76 19.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 p -62.56 -34.88 77.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.36 140.09 7.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.12 15.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.3 p 176.86 97.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 m -127.37 142.27 51.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -123.92 92.14 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.26 107.24 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.04 -162.31 11.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -74.76 -179.92 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.018 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.03 -70.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.97 120.21 0.53 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -20.38 16.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.7 10.71 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 115' ' ' SER . 7.8 mtmt -140.55 51.41 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 11' ' ' LEU . 16.5 mt -109.17 134.59 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.03 137.45 21.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.652 ' OH ' HG11 ' A' ' 112' ' ' VAL . 49.9 p90 -132.96 166.05 23.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 15.1 mt -118.18 112.0 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 15' ' ' VAL . 7.2 p -92.63 101.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.7 tt0 -42.48 134.41 3.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.6 mt -120.03 164.12 16.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.69 172.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.5 8.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.7 10.13 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.66 44.24 40.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 p -124.06 163.65 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.78 114.06 25.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 m -57.42 169.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -88.5 43.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -164.89 172.61 12.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 27' ' ' LYS . 18.3 pttt -66.23 114.19 15.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 155.28 42.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HD3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.68 139.24 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -120.78 141.89 50.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE2' ' HD3' ' A' ' 29' ' ' LYS . 13.9 m-85 -135.03 95.9 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 126.25 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.673 ' CD2' HD11 ' A' ' 50' ' ' ILE . 39.2 mt -88.74 95.43 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -66.08 -179.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -69.67 160.15 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 86.1 160.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.492 HG22 ' HB2' ' A' ' 63' ' ' ASP . 14.5 p -67.46 125.03 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 49' ' ' SER . 15.7 m -113.95 108.33 16.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.09 123.9 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG22 ' HB ' ' A' ' 50' ' ' ILE . 40.0 t -97.05 150.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.69 -151.51 23.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 52' ' ' LEU . 73.4 p -102.16 -19.08 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 59' ' ' PRO . 6.1 mm-40 -94.16 156.28 16.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.33 108.13 18.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.54 -56.56 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -87.22 171.44 10.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -52.11 65.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -112.4 63.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.569 ' HA ' HG23 ' A' ' 38' ' ' THR . 2.4 p -92.68 143.53 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 33' ' ' LEU . 96.3 mt -70.17 130.45 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 51.0 tt0 -120.07 106.14 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' THR . 12.4 mt -110.97 162.08 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 16.7 m-85 -137.1 120.25 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.72 155.94 27.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 93.69 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.07 -0.62 7.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.28 152.47 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -113.1 175.72 1.75 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.99 -54.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -103.76 77.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.433 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -67.38 -61.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.3 p -165.63 173.31 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.492 ' HB2' HG22 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -121.64 147.02 46.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 40' ' ' VAL . 2.3 mt -121.95 102.91 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -96.6 118.11 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -94.54 106.99 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 mmt -118.45 100.65 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 19.53 10.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -18.58 44.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.71 134.73 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.616 HG12 HD12 ' A' ' 95' ' ' LEU . 25.5 t -131.69 137.67 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.955 HG22 ' HA ' ' A' ' 94' ' ' MET . 13.6 p -135.45 119.89 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.571 HG13 HD13 ' A' ' 89' ' ' ILE . 7.7 p -69.14 130.47 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.517 ' OG1' HG23 ' A' ' 92' ' ' THR . 95.1 m -129.77 104.77 17.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.67 8.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -124.25 29.37 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.88 119.44 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.62 58.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t70 177.36 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -65.89 119.72 11.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.601 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.1 mt-10 -90.11 127.43 36.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.417 HG21 HG21 ' A' ' 73' ' ' VAL . 85.7 m -128.21 101.67 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 87.2 m-85 -105.63 120.4 41.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.543 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 67.6 t -97.94 92.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 18.6 t0 76.83 39.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.66 29.6 57.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.0 mt-30 -140.31 113.38 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -70.08 151.54 45.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.571 HD13 HG13 ' A' ' 73' ' ' VAL . 6.5 pt -119.66 151.65 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -114.82 -15.78 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -143.01 -178.18 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' OG1' ' A' ' 74' ' ' THR . 99.8 m -55.45 107.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.466 ' O ' HG12 ' A' ' 73' ' ' VAL . 13.3 m -108.94 123.28 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.955 ' HA ' HG22 ' A' ' 72' ' ' THR . 5.3 ttm -54.39 144.86 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.616 HD12 HG12 ' A' ' 71' ' ' VAL . 22.2 mt -106.07 154.32 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -138.44 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -74.17 128.12 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' MET . . . 100.28 -35.21 4.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.543 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 2.3 ttt -36.94 144.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -98.98 123.78 43.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.511 ' HA ' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -98.69 115.49 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.407 ' HB3' ' HB2' ' A' ' 83' ' ' TYR . 3.9 tt0 -108.54 107.98 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 85.4 m-85 -109.28 83.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 85.53 31.24 22.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 104' ' ' GLY . 7.1 p 37.94 32.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 104' ' ' GLY . 1.4 t -126.4 -43.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 31.8 t -95.69 133.88 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -129.99 164.94 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -129.61 115.37 17.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.3 t80 -82.66 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.652 HG11 ' OH ' ' A' ' 13' ' ' TYR . 8.9 t -130.52 137.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.39 105.15 53.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -3.82 14.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.813 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.46 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 43.2 t -66.17 -54.96 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.28 144.04 13.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 93.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.6 t -114.99 136.02 53.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.87 114.23 8.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -110.16 -58.26 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.51 110.87 11.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.67 -133.71 1.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -121.39 147.99 44.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 109.967 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 178.72 85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.44 84.49 0.89 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -4.9 41.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -103.08 35.69 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 72.2 mt -97.99 148.66 34.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.863 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 26.3 p90 -141.02 166.47 24.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' CA ' ' A' ' 111' ' ' PHE . 5.9 mt -111.08 110.28 20.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.676 HG23 HD12 ' A' ' 30' ' ' LEU . 7.0 p -93.92 103.44 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -44.33 128.27 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.56 161.79 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -58.08 175.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -19.21 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.28 36.06 4.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.1 m -124.16 163.84 20.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 110.045 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.92 97.65 10.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.7 p -53.59 174.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -87.13 54.77 3.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.78 -178.57 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 107.86 54.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.96 162.84 36.53 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.09 44.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.78 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.1 142.84 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 50.7 m-85 -133.96 100.28 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -71.47 125.91 28.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.27 79.39 9.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' LEU . 52.8 mt-30 -61.43 156.54 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 11.8 mt -39.63 156.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.31 159.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.9 p -67.4 150.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.9 m -135.21 104.77 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 131.47 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 41' ' ' GLY . 13.6 t -107.42 165.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 134.51 -140.47 11.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.753 HG22 ' O ' ' A' ' 52' ' ' LEU . 80.7 p -117.25 -11.12 10.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -74.77 157.7 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -107.45 116.78 32.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 79.6 m-85 -117.49 -38.02 3.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' SER . 1.6 t70 -172.95 145.58 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -46.97 -31.8 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -69.74 -41.59 75.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.57 ' HA ' HG23 ' A' ' 38' ' ' THR . 47.2 m -53.29 153.02 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -87.36 150.34 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -134.92 98.6 4.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.753 ' O ' HG22 ' A' ' 42' ' ' THR . 84.6 mt -104.69 140.06 38.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -118.31 122.27 42.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.22 155.85 26.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.762 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.39 -7.25 5.0 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 HG22 HG23 ' A' ' 42' ' ' THR . 6.4 mm -72.59 147.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -107.67 176.02 1.78 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.94 -55.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.473 ' CD2' ' HB2' ' A' ' 76' ' ' ARG . 8.9 t-160 -101.85 76.44 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.544 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -67.45 -68.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -156.64 177.5 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -128.94 145.32 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mt -118.39 109.21 15.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.5 m -107.9 124.95 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.42 ' HA ' HG22 ' A' ' 71' ' ' VAL . 49.3 t-20 -90.77 111.0 22.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.4 mmt -118.23 102.28 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.34 26.94 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.66 -27.5 19.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.6 t -76.47 145.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 66' ' ' ASN . 54.5 t -130.41 145.03 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 94' ' ' MET . 24.7 p -133.43 119.14 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.815 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.2 p -71.45 124.59 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.8 m -124.9 103.94 30.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.99 121.31 6.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 30.0 mmt180 -116.92 35.28 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.51 144.19 49.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 7.9 ptp -96.15 59.8 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 78' ' ' MET . 11.0 m-20 164.67 -27.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.544 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -59.33 104.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.2 mp0 -83.28 118.13 23.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 97.1 m -125.19 102.15 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 88' ' ' ARG . 33.7 m-85 -101.46 113.34 26.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 70.0 t -85.98 91.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.3 t0 77.46 30.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.91 60.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -123.01 112.65 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HB2' ' CD1' ' A' ' 83' ' ' TYR . 5.1 ttt-85 -74.95 127.6 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.729 HD13 HG13 ' A' ' 73' ' ' VAL . 9.0 pt -91.82 166.51 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 11.69 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 89' ' ' ILE . 3.8 pt-20 179.17 -175.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 72' ' ' THR . 25.7 m -50.2 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.2 m -114.37 120.32 39.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.502 ' HA ' HG22 ' A' ' 72' ' ' THR . 43.9 ttm -56.18 138.35 50.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.815 HD11 ' HB ' ' A' ' 73' ' ' VAL . 67.6 mt -105.7 149.42 26.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -130.85 136.3 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -45.82 131.27 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.49 -36.18 4.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.407 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -52.18 141.97 17.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -90.27 165.11 14.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -143.67 110.75 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.458 ' HB2' HG22 ' A' ' 108' ' ' VAL . 45.0 tt0 -105.21 106.21 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.407 ' O ' HD11 ' A' ' 57' ' ' ILE . 97.0 m-85 -93.12 103.49 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 89.91 -93.72 1.91 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER 177.23 57.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.388 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t -174.04 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -99.33 123.37 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.458 HG22 ' HB2' ' A' ' 102' ' ' GLN . 4.6 t -129.58 118.28 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -113.94 174.17 6.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -133.79 117.74 17.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 1.7 t80 -79.84 141.68 35.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.863 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -137.89 154.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -135.24 98.73 12.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.472 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.05 -2.21 12.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -38.09 86.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.956 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 81.85 140.79 3.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 175.53 11.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.1 t -148.21 -61.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t -72.14 -57.54 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 p -124.81 144.59 50.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.7 155.04 18.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.0 -111.51 3.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -139.61 161.86 36.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -118.03 101.12 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.944 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.13 93.71 0.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.21 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -71.26 -5.28 31.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -105.91 39.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 67.3 mt -108.47 142.31 25.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.709 ' OH ' HG11 ' A' ' 112' ' ' VAL . 48.1 p90 -129.11 168.29 16.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 111' ' ' PHE . 17.0 mt -117.12 111.08 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 15' ' ' VAL . 8.0 p -92.19 103.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.9 tt0 -46.03 131.65 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.3 mt -116.94 161.9 18.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -49.34 176.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.02 -4.54 15.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.45 -15.67 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 39.24 3.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t -124.12 164.11 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -83.17 104.29 13.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.3 p -53.3 173.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.69 49.58 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -175.71 165.27 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -65.68 111.87 7.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 26' ' ' ASP . 18.4 Cg_endo -75.04 157.52 42.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 152.07 46.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.48 161.5 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.559 ' CD1' HG23 ' A' ' 50' ' ' ILE . 29.8 m-85 -155.69 97.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 136.01 46.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.835 ' CD2' HD11 ' A' ' 50' ' ' ILE . 20.6 mt -97.11 79.91 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' A' ' 11' ' ' LEU . 8.8 mt-30 -46.81 154.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 16.6 mt -50.3 168.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.65 -146.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 t -103.26 135.54 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.618 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.7 m -129.1 94.61 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.7 130.36 36.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 50' ' ' ILE . 25.0 t -100.48 167.56 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 133.95 -153.6 20.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 52' ' ' LEU . 74.6 p -107.35 18.79 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.42 161.01 19.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' NZ ' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -125.52 104.29 8.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.36 -43.07 15.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -174.9 131.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.7 m-20 -40.17 106.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.8 m-20 154.79 -23.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.618 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER -88.94 -177.9 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.835 HD11 ' CD2' ' A' ' 33' ' ' LEU . 7.1 mt -107.93 147.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -129.8 98.7 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 42' ' ' THR . 95.5 mt -102.9 154.36 19.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -134.21 118.27 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.99 161.9 32.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.84 -1.55 6.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 18.7 mm -83.6 152.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.522 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -115.7 179.24 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.99 -60.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -102.15 76.74 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.427 ' CD2' ' OG1' ' A' ' 82' ' ' THR . 3.1 t60 -61.3 -72.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.15 158.35 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -98.25 151.72 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 33' ' ' LEU . 6.3 mt -130.22 90.17 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -92.5 121.34 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 61.2 t30 -97.52 116.87 30.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 1.063 ' O ' HG12 ' A' ' 70' ' ' VAL . 40.1 mmm -118.81 95.58 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.39 5.61 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 125.4 -24.37 5.89 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.063 HG12 ' O ' ' A' ' 67' ' ' MET . 13.8 p -73.81 135.69 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.535 HG12 HD12 ' A' ' 95' ' ' LEU . 25.1 t -127.48 138.99 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.667 HG22 ' HA ' ' A' ' 94' ' ' MET . 3.7 p -129.86 123.33 30.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.661 HG13 HD13 ' A' ' 89' ' ' ILE . 3.0 p -82.13 120.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.6 m -120.34 106.14 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.87 3.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -86.39 -16.78 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -128.82 136.77 50.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 ttt -71.32 -41.67 69.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.92 -40.66 66.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 97.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -73.36 112.83 9.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.427 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 23.0 m -121.2 108.72 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 55.7 m-85 -113.91 121.04 42.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 59.5 t -97.76 91.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.6 t0 82.4 38.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.98 17.48 80.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -126.85 117.59 22.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.1 ttt180 -72.44 153.61 41.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.661 HD13 HG13 ' A' ' 73' ' ' VAL . 7.7 pt -120.81 152.37 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -18.2 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -142.56 -175.94 4.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.234 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.424 ' CG2' ' HB ' ' A' ' 72' ' ' THR . 20.0 m -55.8 108.87 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 73' ' ' VAL . 9.4 m -112.64 123.26 49.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.667 ' HA ' HG22 ' A' ' 72' ' ' THR . 10.1 ttp -61.29 140.02 58.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 73' ' ' VAL . 69.2 mt -104.87 149.35 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -131.34 169.04 16.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -73.19 130.29 39.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.39 -26.26 25.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.465 ' CE ' HG11 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -59.47 142.5 52.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -88.8 157.53 18.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -133.85 119.59 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -116.54 106.44 13.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' A' ' 101' ' ' LEU . 15.0 m-85 -98.6 85.86 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 109.57 -96.57 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 177.28 57.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 110.409 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 t -175.82 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -99.77 119.8 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 24.1 t -120.44 136.75 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 41.6 m-85 -130.43 174.85 9.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HE3' ' CG2' ' A' ' 112' ' ' VAL . 9.4 tttt -139.61 115.76 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.7 t80 -79.85 136.57 36.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.709 HG11 ' OH ' ' A' ' 13' ' ' TYR . 15.5 t -134.22 151.57 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.32 104.1 43.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.0 m -55.37 -43.49 75.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 102.17 144.47 14.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.96 43.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.81 -59.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.05 79.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.54 145.71 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -164.63 165.45 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.37 142.5 13.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.57 161.07 40.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -128.71 93.82 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.948 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.78 118.64 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HA ' HD23 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 -10.94 21.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.65 35.88 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.5 28.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -129.01 154.55 80.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -75.0 134.62 18.03 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CD2' HD21 ' A' ' 30' ' ' LEU . 48.2 p90 -128.8 166.42 19.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.806 HD12 HD21 ' A' ' 33' ' ' LEU . 35.6 mt -117.53 110.05 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 15' ' ' VAL . 7.3 p -93.05 106.91 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' ' 17' ' ' LEU . 21.7 tt0 -47.84 135.53 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 16' ' ' GLU . 12.0 mt -118.76 163.86 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -55.45 175.08 0.21 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.5 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.02 -14.17 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 38.01 6.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.7 p -123.98 163.56 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -95.53 97.87 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -58.75 175.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.956 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -86.82 54.81 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -158.29 -173.36 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.06 109.51 63.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.17 42.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -68.46 154.19 42.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -121.46 128.48 52.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.68 ' CD2' HG23 ' A' ' 50' ' ' ILE . 2.9 m-30 -113.54 77.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 4.0 mmt180 -52.39 128.92 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.806 HD21 HD12 ' A' ' 14' ' ' LEU . 18.9 mt -93.0 67.95 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' HA ' HD22 ' A' ' 11' ' ' LEU . 10.3 mt-30 -35.67 147.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 34' ' ' GLN . 6.4 mt -44.47 169.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 36.2 t 66.95 -178.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.22 147.69 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 46.9 m -137.06 105.92 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' HG2' ' CD2' ' A' ' 45' ' ' PHE . 26.0 mp0 -70.07 140.76 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG22 HD12 ' A' ' 50' ' ' ILE . 43.5 t -123.84 153.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 137.73 -146.95 18.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 52' ' ' LEU . 57.7 p -110.54 14.59 22.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.54 156.12 23.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -111.55 95.46 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CD2' ' HG2' ' A' ' 39' ' ' GLU . 5.5 m-85 -86.06 -58.02 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.79 169.19 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -33.88 73.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.468 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 4.7 m120 -118.57 59.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.57 176.32 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.68 HG23 ' CD2' ' A' ' 31' ' ' TYR . 80.1 mt -94.55 143.88 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -135.08 99.37 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.639 ' O ' HG22 ' A' ' 42' ' ' THR . 57.4 mt -99.7 151.53 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -136.03 114.14 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.9 160.81 31.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 96.94 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.08 3.62 8.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.6 mm -82.61 152.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.512 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.61 178.81 0.89 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -59.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -102.76 77.54 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.5 t60 -63.53 -68.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.41 ' SG ' HG23 ' A' ' 73' ' ' VAL . 19.6 p -154.83 178.83 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -134.87 121.49 20.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.477 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -86.31 108.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.5 m -95.0 105.38 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 43.4 t-20 -90.05 110.92 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 1.028 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -114.7 96.25 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.16 7.5 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.28 -26.99 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.028 HG12 ' O ' ' A' ' 67' ' ' MET . 14.0 p -73.14 126.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.523 HG12 HD12 ' A' ' 95' ' ' LEU . 16.0 t -113.91 138.03 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 94' ' ' MET . 51.8 p -131.66 119.66 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.828 HG13 HD13 ' A' ' 89' ' ' ILE . 6.4 p -74.11 117.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.585 ' OG1' HG23 ' A' ' 92' ' ' THR . 44.1 m -115.8 104.33 52.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.449 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.0 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -116.73 35.15 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.48 149.62 52.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 8.7 ptp -98.5 59.82 1.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' MET . 4.3 m-20 162.34 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.569 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -60.62 103.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 3.8 mp0 -84.35 124.63 31.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.735 HG21 HG21 ' A' ' 73' ' ' VAL . 4.1 m -127.94 101.79 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 57.7 m-85 -101.55 115.45 30.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.474 HG12 ' SD ' ' A' ' 99' ' ' MET . 63.1 t -87.88 91.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 22.3 t0 78.27 30.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.37 30.15 22.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 4.7 mt-30 -141.13 110.86 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -68.92 144.39 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.828 HD13 HG13 ' A' ' 73' ' ' VAL . 6.4 pt -110.32 156.94 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.1 p -113.99 -21.92 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -142.91 -175.27 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.585 HG23 ' OG1' ' A' ' 74' ' ' THR . 28.4 m -53.85 108.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 m -113.85 122.06 45.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.649 ' HA ' HG22 ' A' ' 72' ' ' THR . 50.9 ttm -59.35 141.08 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.523 HD12 HG12 ' A' ' 71' ' ' VAL . 76.7 mt -104.26 142.71 34.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 p -57.95 127.52 32.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.84 -36.62 4.24 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.474 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.98 147.58 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.02 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -90.23 165.0 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -135.42 114.62 12.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 8.5 tt0 -113.82 111.64 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 92.0 m-85 -111.82 84.91 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.41 31.09 12.08 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.426 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 13.0 p 38.83 33.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 m -122.39 -58.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -104.44 122.23 45.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 17' ' ' LEU . 45.4 t -108.74 139.36 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' LEU . 24.1 m-85 -139.34 160.73 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.16 118.36 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 4.5 t80 -85.16 133.92 34.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' HD3' ' A' ' 110' ' ' LYS . 25.0 t -135.11 144.08 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -111.98 103.41 55.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -22.42 14.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t -47.01 -50.54 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.06 144.14 7.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 70.36 5.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.58 142.26 30.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.52 81.75 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -125.45 89.3 3.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 0.724 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -174.36 149.12 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.23 75.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.147 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.07 -61.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t 48.5 82.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.57 92.43 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.22 13.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.51 23.22 4.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -157.49 51.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.776 HD13 ' HA ' ' A' ' 34' ' ' GLN . 74.8 mt -107.9 148.25 37.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.839 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 47.5 p90 -137.83 168.03 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 101' ' ' LEU . 2.9 mt -117.22 118.28 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.62 HG23 HD23 ' A' ' 30' ' ' LEU . 9.3 p -102.62 108.03 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.9 tt0 -47.5 135.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.4 mt -116.15 163.81 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.29 172.06 0.36 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -110.9 -16.15 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.7 32.67 7.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m -124.07 163.58 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.0 96.93 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.36 179.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 mtt-85 -90.22 54.76 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -152.05 179.46 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -105.59 105.51 52.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.98 168.68 24.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -67.51 154.81 40.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.745 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.98 154.34 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.519 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 25.4 m-85 -150.15 106.34 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 123.49 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.66 78.93 9.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.776 ' HA ' HD13 ' A' ' 11' ' ' LEU . 28.6 mt-30 -60.09 159.39 9.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' SER . 9.0 mt -41.26 156.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.78 161.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.7 p -68.34 145.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 m -125.41 104.49 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 40.2 mp0 -77.11 121.93 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' HB ' ' A' ' 50' ' ' ILE . 90.3 t -101.31 153.61 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.73 -148.39 20.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 52' ' ' LEU . 66.8 p -110.34 -13.24 14.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 162.07 27.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -113.63 101.22 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.414 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 5.5 m-85 -90.9 -38.1 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.24 -172.02 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.91 -31.92 27.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -100.97 60.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.0 m -128.91 151.43 49.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' A' ' 40' ' ' VAL . 85.6 mt -82.12 127.0 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -116.57 98.76 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.878 ' O ' HG22 ' A' ' 42' ' ' THR . 74.4 mt -97.92 143.98 27.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 10.5 m-85 -133.64 113.83 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.39 163.72 32.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.15 2.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.11 42.32 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.469 HG22 HG23 ' A' ' 42' ' ' THR . 1.6 mm -119.75 152.58 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -113.38 177.58 1.15 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -74.99 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 76' ' ' ARG . 2.2 t-160 -101.68 76.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.597 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 4.4 t60 -64.71 -70.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 74' ' ' THR . 17.1 p -154.73 174.82 14.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -124.46 152.44 43.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mt -124.81 102.46 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 79.0 m -99.69 120.98 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.521 ' HA ' HG22 ' A' ' 71' ' ' VAL . 63.6 t30 -92.96 106.85 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -119.09 107.71 13.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.98 20.51 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.66 -27.3 21.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.71 141.86 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 66' ' ' ASN . 49.3 t -129.38 146.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.5 p -134.95 119.59 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.852 ' HB ' HD11 ' A' ' 95' ' ' LEU . 6.6 p -71.48 126.74 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 52.5 m -128.0 108.04 20.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.22 7.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 17.8 mmm180 -88.34 -16.11 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.4 m -132.79 135.97 46.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -41.48 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -33.9 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.597 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -68.18 99.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.1 mp0 -71.49 116.76 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.6 m -127.19 108.66 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 35.5 m-85 -113.59 120.1 39.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.496 HG12 ' SD ' ' A' ' 99' ' ' MET . 93.9 t -95.12 91.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.9 OUTLIER 80.57 38.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.14 12.96 83.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.3 mt-30 -120.99 118.21 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.552 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.7 ttt180 -74.54 152.92 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.498 HD13 HG13 ' A' ' 73' ' ' VAL . 12.7 pt -117.13 174.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.99 18.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.04 -174.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.528 HG22 ' HB ' ' A' ' 72' ' ' THR . 30.7 m -53.72 104.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -113.56 123.4 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.676 ' HA ' HG22 ' A' ' 72' ' ' THR . 44.9 ttm -53.64 144.19 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.852 HD11 ' HB ' ' A' ' 73' ' ' VAL . 82.7 mt -116.23 142.4 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -124.18 137.27 54.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -45.75 128.79 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 -40.35 2.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.496 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -43.82 143.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -90.09 164.95 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -145.85 108.89 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.416 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 19.9 tt0 -98.27 115.88 29.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 97.9 m-85 -110.01 102.73 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.59 36.62 48.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 105' ' ' THR . 10.0 t 35.88 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.5 t -149.24 -46.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.425 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 30.3 m-70 -100.32 105.05 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.52 129.7 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -129.77 168.44 16.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.618 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -128.6 116.27 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.524 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 1.8 t80 -79.62 137.96 37.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.839 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.89 156.65 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -136.79 95.61 12.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.521 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -38.87 88.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 112.62 138.4 7.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -74.97 152.67 41.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 117' ' ' PRO . 3.6 m 50.76 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.0 m -160.12 -56.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.452 1.095 . . . . 0.0 111.05 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -147.29 148.89 31.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -73.18 108.88 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.34 -147.55 18.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 m -115.31 150.97 35.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -124.4 98.12 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.05 70.11 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -17.43 19.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.88 2.56 37.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.23 49.27 2.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 34' ' ' GLN . 21.9 mt -100.72 154.39 37.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.96 141.63 27.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.875 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 42.7 p90 -138.71 166.66 23.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' CA ' ' A' ' 111' ' ' PHE . 2.7 mt -116.5 123.02 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 15' ' ' VAL . 9.9 p -107.47 102.21 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.6 tt0 -38.75 137.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.2 mt -118.12 167.49 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.0 171.25 5.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.47 11.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 2.01 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 45.01 11.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -121.1 152.38 38.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' HB3' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -129.26 63.09 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.548 ' O ' ' CB ' ' A' ' 25' ' ' ARG . 1.6 p -162.16 121.55 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER 153.58 -20.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.88 -163.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 106.62 58.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.97 158.91 42.03 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.31 155.55 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.74 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.85 146.1 51.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.514 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 35.8 m-85 -140.37 102.76 4.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -73.04 135.88 44.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 64' ' ' LEU . 39.1 mt -97.41 80.53 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.6 ' HA ' HD13 ' A' ' 11' ' ' LEU . 32.6 mt-30 -64.65 155.85 32.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.1 mt -50.66 110.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 156.35 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.665 HG12 ' OE2' ' A' ' 39' ' ' GLU . 2.1 t -100.57 109.57 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.62 HG23 ' HA ' ' A' ' 49' ' ' SER . 19.3 m -104.55 108.26 19.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.665 ' OE2' HG12 ' A' ' 37' ' ' VAL . 1.4 mp0 -86.35 126.75 34.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG22 ' HB ' ' A' ' 50' ' ' ILE . 59.4 t -98.06 147.09 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.29 -139.04 8.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 52' ' ' LEU . 81.0 p -117.69 18.93 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -118.39 170.46 8.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -125.08 138.52 54.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -136.22 -60.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.58 176.37 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -70.31 -42.39 72.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -117.05 65.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.62 ' HA ' HG23 ' A' ' 38' ' ' THR . 36.6 p -92.61 171.58 8.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.066 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.547 ' HB ' HG22 ' A' ' 40' ' ' VAL . 96.4 mt -100.18 117.29 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.486 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 39.0 tt0 -118.22 102.24 8.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 42' ' ' THR . 9.4 mt -108.6 165.82 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 22.6 m-85 -139.91 122.29 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.57 159.49 30.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 94.03 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 125.78 0.37 7.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.56 1.163 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 16.4 mm -81.07 152.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -115.11 178.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.01 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.433 ' NE2' ' OD2' ' A' ' 63' ' ' ASP . 7.1 t-160 -100.43 76.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.648 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.54 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.5 t60 -63.12 -62.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.95 168.97 18.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' NE2' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -117.86 137.86 52.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.519 ' HB3' HD13 ' A' ' 33' ' ' LEU . 4.9 mt -113.27 91.89 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.513 ' O ' ' CE ' ' A' ' 67' ' ' MET . 79.7 m -92.95 132.5 37.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' ND2' HD23 ' A' ' 35' ' ' LEU . 38.1 t-20 -103.1 110.69 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.85 103.12 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.5 m-20 60.84 48.91 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.05 76.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 68' ' ' ASP . 21.8 t -127.67 129.64 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.243 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.477 HG12 HD12 ' A' ' 95' ' ' LEU . 42.0 t -122.37 140.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.92 HG22 ' HA ' ' A' ' 94' ' ' MET . 5.7 p -137.99 118.76 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.685 ' HB ' HD11 ' A' ' 95' ' ' LEU . 7.2 p -68.29 122.98 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.517 ' OG1' HG23 ' A' ' 92' ' ' THR . 53.7 m -124.74 106.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -125.23 22.8 7.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.9 118.5 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.5 64.36 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 174.19 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -64.51 112.69 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mt-10 -85.15 120.19 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.54 HG21 HG21 ' A' ' 73' ' ' VAL . 92.2 m -121.67 109.89 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 79.7 m-85 -114.0 117.63 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.547 HG12 ' SD ' ' A' ' 99' ' ' MET . 98.2 t -92.61 91.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.5 t0 79.58 35.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.43 12.31 80.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.5 116.5 25.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.3 ttt180 -71.88 152.6 42.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.651 HD13 HG13 ' A' ' 73' ' ' VAL . 6.7 pt -114.13 170.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 m -139.36 13.28 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 89' ' ' ILE . 3.8 pt-20 176.74 -174.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' OG1' ' A' ' 74' ' ' THR . 17.3 m -54.29 101.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.5 m -110.26 118.92 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.92 ' HA ' HG22 ' A' ' 72' ' ' THR . 30.7 ttm -52.93 141.9 20.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.685 HD11 ' HB ' ' A' ' 73' ' ' VAL . 74.4 mt -109.36 146.46 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -125.25 144.95 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -54.34 127.91 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.51 -42.21 1.98 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.547 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -42.96 148.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -88.98 160.0 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -132.59 114.4 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.232 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -107.13 123.16 47.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.726 ' CE1' HD12 ' A' ' 101' ' ' LEU . 18.4 m-85 -118.89 78.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.69 34.6 11.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p 38.92 50.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -146.24 -49.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -108.83 97.7 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 40.8 t -93.43 132.62 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -132.16 173.72 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.617 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -131.78 115.5 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 2.1 t80 -80.54 142.23 34.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.875 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 1.1 m -134.94 157.65 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -136.23 93.02 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.528 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -10.82 21.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 t -60.68 -37.64 82.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.02 138.61 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 83.86 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -59.06 2.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.08 116.06 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -145.12 85.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 110.016 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p 55.51 170.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.43 -162.41 34.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.475 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -39.99 127.76 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 0.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -137.95 58.13 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.83 92.0 0.86 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -17.98 19.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.85 6.55 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.89 46.3 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 27.5 mt -118.28 137.16 24.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.541 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.2 Cg_endo -74.98 140.14 25.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.92 ' C ' HD13 ' A' ' 14' ' ' LEU . 49.1 p90 -143.5 165.15 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.92 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -113.03 130.11 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG23 HD23 ' A' ' 30' ' ' LEU . 9.2 p -110.49 119.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 17' ' ' LEU . 14.9 tt0 -50.74 129.36 22.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 110' ' ' LYS . 10.6 mt -117.98 162.53 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 170.46 0.48 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -113.17 -15.88 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.97 47.26 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -123.21 162.13 23.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.09 116.0 25.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.26 -158.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 64.21 73.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t0 52.09 179.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -66.29 113.12 11.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.63 32.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -66.94 152.43 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.383 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.22 150.49 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 74.3 m-85 -143.77 111.47 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 141.59 28.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD13 ' HB3' ' A' ' 64' ' ' LEU . 68.0 mt -99.22 81.27 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.85 157.96 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.3 mt -42.73 163.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.31 -149.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.762 HG22 ' OG1' ' A' ' 65' ' ' THR . 61.7 t -112.82 156.83 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.643 HG23 ' HA ' ' A' ' 49' ' ' SER . 15.3 m -138.64 99.29 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 28.5 mp0 -77.49 118.34 19.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 41' ' ' GLY . 23.8 t -97.29 162.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 136.09 -129.72 5.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 52' ' ' LEU . 71.1 p -125.42 6.06 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.66 149.99 33.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -106.37 111.06 23.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -103.94 -72.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.37 -167.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.26 -37.76 13.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -113.58 60.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.643 ' HA ' HG23 ' A' ' 38' ' ' THR . 63.2 p -101.51 153.07 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.95 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.624 HG22 ' CD2' ' A' ' 52' ' ' LEU . 30.5 mt -88.03 126.32 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.504 ' C ' HD13 ' A' ' 52' ' ' LEU . 53.0 tt0 -119.87 99.31 6.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.624 ' CD2' HG22 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -102.64 170.85 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 51' ' ' GLN . 9.7 m-85 -146.06 115.45 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.75 164.47 34.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.575 1.172 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.15 19.23 8.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -102.54 152.41 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.531 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -118.6 179.97 0.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.531 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.5 Cg_endo -75.03 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 6.5 t-160 -101.29 75.32 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 4.9 t60 -60.25 -69.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.4 p -153.56 167.79 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -114.67 140.02 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.733 ' HB3' HD13 ' A' ' 33' ' ' LEU . 6.0 mt -117.27 90.82 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.762 ' OG1' HG22 ' A' ' 37' ' ' VAL . 31.4 m -94.66 150.19 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -117.95 106.08 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 65' ' ' THR . 66.2 mmm -119.39 97.49 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 70' ' ' VAL . 5.5 t70 67.56 54.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.34 20.33 50.35 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 68' ' ' ASP . 21.2 t -115.84 138.14 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.541 HG21 ' HG2' ' A' ' 12' ' ' PRO . 66.9 t -135.74 137.17 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.818 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.5 p -137.33 119.21 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.684 HG13 HD13 ' A' ' 89' ' ' ILE . 2.6 p -67.1 117.03 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.451 ' OG1' HG23 ' A' ' 92' ' ' THR . 50.4 m -116.76 107.2 46.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.21 -22.28 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 m -126.93 132.43 50.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtt -68.51 -35.07 76.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.33 -37.62 81.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -67.45 98.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.3 mp0 -66.73 119.54 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -127.08 104.59 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 42.1 m-85 -106.67 115.85 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.619 HG21 HG11 ' A' ' 73' ' ' VAL . 50.1 t -94.56 91.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.0 t70 80.58 35.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.54 26.33 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 5.0 mt-30 -136.96 116.4 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 4.9 ttt-85 -71.32 133.27 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.684 HD13 HG13 ' A' ' 73' ' ' VAL . 10.6 pt -101.37 153.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -114.24 -18.92 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -143.26 -176.24 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' OG1' ' A' ' 74' ' ' THR . 78.6 m -54.4 105.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.0 m -108.08 133.94 51.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.818 ' HA ' HG22 ' A' ' 72' ' ' THR . 33.4 ttm -67.41 150.92 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 101' ' ' LEU . 38.8 mt -109.87 135.42 50.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -123.9 139.82 53.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 111' ' ' PHE . 4.7 p -45.76 128.54 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.27 -40.37 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.618 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -44.86 143.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -97.56 134.17 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.623 HD23 ' HE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -109.32 107.14 17.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -106.92 122.13 45.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.623 ' HE1' HD23 ' A' ' 101' ' ' LEU . 3.6 m-30 -109.65 84.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.422 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 104.92 -92.24 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 176.94 57.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 110.381 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.1 p -170.38 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -100.2 112.41 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -124.8 118.88 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.522 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 53.8 m-85 -119.29 158.64 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.1 tttt -111.98 117.32 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.484 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.4 t80 -77.99 126.64 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.492 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 24.2 t -130.04 146.08 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.75 101.84 50.51 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.515 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -3.9 14.6 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.7 m -64.2 -42.04 96.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.45 144.06 7.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 81.53 2.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.792 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.1 t 59.35 82.89 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 t -43.45 132.23 4.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.021 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -139.18 -57.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -39.67 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.07 172.31 44.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.81 167.41 22.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -154.98 100.68 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.94 99.87 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.569 1.168 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.82 13.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.37 15.36 7.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -142.34 49.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 31.0 mt -105.44 152.56 39.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.05 140.86 25.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.869 ' CE1' HG11 ' A' ' 112' ' ' VAL . 49.4 p90 -139.6 166.91 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD23 ' HA ' ' A' ' 111' ' ' PHE . 5.1 mt -114.81 116.38 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 15' ' ' VAL . 9.3 p -101.03 105.71 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 12.7 tt0 -42.04 133.1 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.4 mt -110.33 162.67 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 171.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.22 -12.64 12.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.27 38.32 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m -121.4 154.47 36.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -100.82 104.37 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 -156.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.38 70.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t0 51.98 179.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -65.29 113.15 10.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.0 168.19 25.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.065 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CD ' ' OH ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -67.4 152.3 45.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.72 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.35 154.6 48.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' OH ' ' CD ' ' A' ' 29' ' ' LYS . 40.6 m-85 -152.97 104.44 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -73.14 134.44 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.31 77.82 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.39 153.7 43.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.9 mt -45.88 109.14 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER 159.55 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 p -108.16 111.75 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.956 HG23 ' HA ' ' A' ' 49' ' ' SER . 17.7 m -99.8 101.63 12.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.01 111.02 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG13 HD21 ' A' ' 52' ' ' LEU . 58.9 t -89.36 148.31 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.67 -139.05 7.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.525 HG23 HG22 ' A' ' 57' ' ' ILE . 61.6 p -122.11 1.51 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -111.28 159.61 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 134.97 45.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -134.98 -55.34 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.71 152.73 22.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -37.56 70.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -110.64 65.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.956 ' HA ' HG23 ' A' ' 38' ' ' THR . 9.0 p -117.0 156.15 27.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.587 HG22 HD21 ' A' ' 52' ' ' LEU . 83.3 mt -91.45 135.26 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.574 ' C ' HD13 ' A' ' 52' ' ' LEU . 4.4 tt0 -128.67 104.09 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -105.85 168.96 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.92 113.2 7.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.38 160.78 30.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 99.51 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 121.4 6.05 9.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 42' ' ' THR . 14.4 mm -88.36 152.43 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.509 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -115.88 179.08 0.84 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.01 -59.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -100.66 76.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.6 t60 -62.55 -70.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.9 p -153.07 176.31 12.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -128.84 123.1 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 14' ' ' LEU . 9.2 mt -94.5 99.75 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.505 ' O ' ' CE ' ' A' ' 67' ' ' MET . 92.0 m -101.44 133.32 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.434 ' CG ' ' CD2' ' A' ' 35' ' ' LEU . 39.4 t-20 -103.65 110.92 23.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.63 99.84 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.928 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.5 m-20 60.54 61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.94 27.64 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 68' ' ' ASP . 4.7 t -127.35 131.03 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.549 HG12 HD12 ' A' ' 95' ' ' LEU . 40.7 t -123.23 139.41 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.745 HG22 ' HA ' ' A' ' 94' ' ' MET . 16.8 p -137.58 118.86 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.711 HG13 HD13 ' A' ' 89' ' ' ILE . 5.4 p -69.57 121.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.594 ' OG1' HG23 ' A' ' 92' ' ' THR . 8.9 m -122.08 107.01 35.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -116.81 25.08 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.36 120.45 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.42 62.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t0 172.15 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.71 111.5 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 12.0 mt-10 -87.64 123.14 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.468 HG21 HG21 ' A' ' 73' ' ' VAL . 43.7 m -122.7 100.69 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 71.6 m-85 -99.59 113.21 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 55.6 t -87.95 92.08 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.8 t0 80.16 25.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.98 22.92 29.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.18 110.7 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -69.56 143.11 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.711 HD13 HG13 ' A' ' 73' ' ' VAL . 22.8 pt -105.06 174.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -140.96 14.29 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER 175.71 -175.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.594 HG23 ' OG1' ' A' ' 74' ' ' THR . 9.1 m -52.74 104.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.451 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.8 m -115.94 122.31 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.745 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.9 150.56 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 71' ' ' VAL . 68.0 mt -117.43 147.99 42.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -127.73 145.82 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -56.21 129.52 40.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.04 -36.4 4.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -47.42 139.58 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 2.0 mtm105 -88.9 140.1 29.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.787 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -112.54 114.75 27.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -119.31 118.13 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.787 ' CE1' HD12 ' A' ' 101' ' ' LEU . 11.4 m-85 -112.75 101.3 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 70.52 34.0 67.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 104' ' ' GLY . 1.9 t 38.75 51.22 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.2 t -137.3 -56.13 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -108.34 106.5 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 33.7 t -97.49 132.77 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 28.4 m-85 -132.5 177.54 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HE3' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -138.31 112.65 8.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.695 ' HA ' HD23 ' A' ' 14' ' ' LEU . 2.0 t80 -78.32 142.43 37.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.869 HG11 ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -135.24 156.34 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -134.95 93.12 17.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.519 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -37.83 88.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.47 138.26 0.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 133.88 17.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -56.41 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.3 m 61.28 122.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.01 137.47 32.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.045 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -80.91 170.82 15.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.87 -170.59 24.64 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.6 -176.74 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -157.24 120.32 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.36 127.83 0.96 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.434 1.083 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.96 19.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.77 4.61 40.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -124.4 37.09 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 114' ' ' PRO . 11.6 mt -103.94 135.81 19.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.02 140.73 25.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.829 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 17.5 p90 -134.84 165.13 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD12 HD21 ' A' ' 33' ' ' LEU . 4.7 mt -114.25 108.47 16.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.65 HG12 ' HE2' ' A' ' 110' ' ' LYS . 8.0 p -92.41 113.65 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -51.89 128.53 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.19 164.08 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -59.07 173.99 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.93 0.98 8.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -123.08 21.85 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.86 47.61 87.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.4 m -122.89 163.57 20.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.55 2.39 41.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 t 49.62 -179.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -99.8 25.35 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.33 -175.82 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -106.83 104.49 51.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.56 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.99 164.65 32.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.818 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 155.56 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.797 HD21 ' CG ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -126.98 125.94 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE2' ' CE2' ' A' ' 109' ' ' PHE . 13.8 m-30 -112.59 103.3 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HA ' ' HB3' ' A' ' 13' ' ' TYR . 4.3 mtt180 -73.53 138.47 45.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.577 ' CD2' HD11 ' A' ' 50' ' ' ILE . 22.2 mt -103.87 102.56 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.94 176.7 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.6 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.41 160.13 25.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p 87.53 -144.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.731 HG23 ' OD1' ' A' ' 63' ' ' ASP . 1.4 p -113.0 151.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 49' ' ' SER . 23.1 m -133.83 100.91 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.446 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.51 128.55 35.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.636 HG22 ' HB ' ' A' ' 50' ' ' ILE . 36.5 t -105.57 168.73 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.523 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 132.22 -149.26 19.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 52' ' ' LEU . 69.3 p -105.92 -14.16 15.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.408 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.56 157.21 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 132.54 48.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -122.78 -62.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.46 -171.26 2.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.88 -36.2 23.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -118.88 61.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.473 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -94.9 160.28 14.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.636 ' HB ' HG22 ' A' ' 40' ' ' VAL . 64.5 mt -91.81 124.48 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -113.15 113.66 25.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.754 ' O ' HG22 ' A' ' 42' ' ' THR . 69.7 mt -113.62 151.86 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.447 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 38.2 m-85 -134.36 120.22 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.93 160.42 32.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.01 4.04 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -89.99 152.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.49 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -114.98 177.57 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -106.12 77.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.579 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.9 t60 -65.17 -68.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.8 p -156.71 170.99 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.731 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -126.57 126.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.454 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -91.08 115.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 36' ' ' SER . 5.3 m -103.47 102.26 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' HA ' HG22 ' A' ' 71' ' ' VAL . 64.8 t30 -85.84 106.17 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -119.42 119.12 33.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.49 17.97 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.31 -29.05 11.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.2 t -74.51 140.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 56.1 t -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 94' ' ' MET . 5.8 p -137.84 120.05 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 93' ' ' THR . 3.1 p -71.3 125.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.7 m -124.69 102.63 32.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.455 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.0 122.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -123.83 33.85 5.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.97 140.74 47.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.439 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.7 ptp -91.85 61.34 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 78' ' ' MET . 2.4 m-20 163.25 -28.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.579 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -59.84 108.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.2 mp0 -86.47 125.3 33.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 73' ' ' VAL . 91.2 m -127.59 105.23 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 76.1 m-85 -108.52 117.21 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 92.3 t -87.67 92.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' VAL . 1.7 m-20 65.37 44.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.66 28.66 56.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -136.37 105.9 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -68.49 151.01 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.631 HD13 HG13 ' A' ' 73' ' ' VAL . 6.2 pt -115.41 158.23 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -130.99 7.56 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.21 -178.67 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.497 HG22 ' HB ' ' A' ' 72' ' ' THR . 6.7 m -50.06 103.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.638 ' O ' HG12 ' A' ' 73' ' ' VAL . 8.0 m -114.48 125.65 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.56 ' HA ' HG22 ' A' ' 72' ' ' THR . 5.1 ttp -62.55 145.43 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.611 HD11 ' HB ' ' A' ' 73' ' ' VAL . 78.4 mt -111.86 146.13 38.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.75 142.21 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -53.49 128.94 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.75 -17.71 48.9 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.463 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -71.47 143.44 50.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.6 mtm-85 -89.25 163.03 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -141.73 107.06 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 108' ' ' VAL . 24.8 tt0 -100.13 106.11 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.539 ' CZ ' HD22 ' A' ' 101' ' ' LEU . 96.9 m-85 -96.45 88.13 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.447 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 103.18 -93.74 1.05 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.447 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 176.13 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -177.21 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 50.2 m-70 -103.06 112.63 25.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 102' ' ' GLN . 9.6 t -121.95 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.469 ' CE2' ' CE2' ' A' ' 31' ' ' TYR . 9.3 m-85 -122.59 169.21 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.65 ' HE2' HG12 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -127.41 117.53 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 5.5 t80 -79.47 140.38 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.829 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -139.78 153.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -136.65 102.98 9.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.437 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -3.17 13.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -68.37 -40.58 81.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.38 143.72 13.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.11 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.53 17.87 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' GLY . 18.0 m -77.25 100.37 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.73 -76.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 118' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.15 88.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -132.94 126.02 31.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.72 172.44 53.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.17 155.52 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.684 ' HB2' HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -152.13 74.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.3 75.9 0.23 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.51 6.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -79.51 1.67 24.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.72 62.6 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 91.0 mt -102.52 144.56 28.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.02 144.52 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 31.9 p90 -141.52 170.59 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.609 ' CD2' HD13 ' A' ' 101' ' ' LEU . 3.1 mt -115.52 119.8 37.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG12 ' HD2' ' A' ' 110' ' ' LYS . 8.5 p -102.53 101.91 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 24.8 tt0 -40.24 136.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.1 mt -118.72 165.73 13.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.406 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -61.47 173.33 0.79 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.34 -18.38 13.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.95 5.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.5 p -124.19 163.02 22.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -82.5 111.4 18.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.4 p -60.57 -178.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.24 13.66 28.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -131.93 152.1 51.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 112.56 8.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.0 164.62 33.0 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 153.32 43.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.736 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.23 149.5 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 43.5 m-85 -144.99 114.97 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -82.14 117.1 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.7 mt -77.16 80.06 3.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.59 152.48 26.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 6' ' ' SER . 8.0 mt -43.53 164.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.6 m 87.38 -150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 63' ' ' ASP . 21.4 t -111.02 146.31 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.529 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.2 m -132.85 106.68 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -78.47 134.6 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.611 ' CG2' HD22 ' A' ' 64' ' ' LEU . 23.7 t -112.89 162.27 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 130.06 -138.23 10.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 52' ' ' LEU . 68.6 p -115.67 10.86 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.92 167.93 10.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -123.87 129.15 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -131.73 -65.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.23 173.1 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -70.16 -40.04 74.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -118.33 57.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.529 ' HA ' HG23 ' A' ' 38' ' ' THR . 90.7 p -85.72 151.66 23.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' HB ' HG22 ' A' ' 40' ' ' VAL . 50.0 mt -85.2 129.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.24 103.45 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' THR . 27.3 mt -104.23 164.86 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 22.5 m-85 -143.17 117.7 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.21 157.98 28.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 134.28 -9.71 4.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 103' ' ' PHE . 12.9 mm -72.25 152.48 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.483 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -112.4 177.14 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.459 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 10.9 t-160 -98.66 75.53 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.598 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.2 t60 -64.7 -71.96 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.8 p -148.72 175.43 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.266 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 1.4 m-20 -132.81 116.78 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.611 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -84.78 121.25 27.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.4 m -121.79 116.68 24.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.452 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -85.23 106.44 16.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.415 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 85.4 mmm -118.97 98.3 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.768 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.29 76.94 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.85 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 68' ' ' ASP . 73.4 t -136.61 147.54 27.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.482 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 64.6 t -129.91 147.14 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.791 HG22 ' HA ' ' A' ' 94' ' ' MET . 18.1 p -138.01 120.01 15.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.775 HG13 HD13 ' A' ' 89' ' ' ILE . 3.7 p -74.75 114.33 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.693 ' OG1' HG23 ' A' ' 92' ' ' THR . 91.6 m -113.89 104.49 55.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -124.37 28.35 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.13 131.18 48.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.7 60.24 6.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.01 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.598 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.19 107.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 9.7 mp0 -84.1 121.34 27.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 115.82 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 39.4 m-85 -116.49 118.9 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 71.5 t -90.24 91.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.5 t0 79.05 30.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.55 22.67 46.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -128.57 111.03 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 110.352 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' HB2' ' CE2' ' A' ' 83' ' ' TYR . 9.0 ttt-85 -71.68 131.43 43.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.775 HD13 HG13 ' A' ' 73' ' ' VAL . 9.2 pt -101.55 152.9 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.238 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.02 -17.14 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -142.93 -177.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.693 HG23 ' OG1' ' A' ' 74' ' ' THR . 91.8 m -54.12 105.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.416 ' HB ' HD13 ' A' ' 89' ' ' ILE . 20.4 m -110.35 134.88 51.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.791 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -65.56 150.98 47.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.739 HD11 ' HB ' ' A' ' 73' ' ' VAL . 81.0 mt -118.17 141.14 48.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -125.97 144.3 50.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 p -52.22 130.17 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.51 -31.96 8.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.63 142.81 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.747 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -90.12 163.97 14.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.609 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -144.25 106.73 4.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.482 ' OE1' HG22 ' A' ' 105' ' ' THR . 0.7 OUTLIER -95.73 119.8 34.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.604 ' O ' HD11 ' A' ' 57' ' ' ILE . 97.2 m-85 -113.6 93.24 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 78.8 36.26 29.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.482 HG22 ' OE1' ' A' ' 102' ' ' GLN . 16.3 p 37.11 42.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -144.78 -46.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.409 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 62.5 m-70 -106.86 98.99 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.612 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.39 123.51 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 6.7 m-85 -120.83 172.87 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.675 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -130.89 117.92 19.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CA ' HD23 ' A' ' 14' ' ' LEU . 2.7 t80 -78.92 135.78 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.847 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.31 155.12 41.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.19 101.62 9.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -0.99 10.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.5 t -65.03 -45.2 86.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.82 142.23 7.05 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.442 1.759 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.9 p -46.86 141.36 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.8 t 53.93 100.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -80.46 156.81 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -155.09 138.75 16.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.7 -125.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 p -75.27 -175.08 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.032 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 60.4 67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 -85.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.08 -14.55 20.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.8 4.64 18.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.32 60.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 41.9 mt -105.24 151.1 39.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.97 141.39 26.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.807 ' CE2' HG11 ' A' ' 112' ' ' VAL . 49.4 p90 -139.54 168.31 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 111' ' ' PHE . 8.2 mt -118.78 121.39 39.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 28' ' ' PRO . 10.0 p -106.39 105.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 5.9 tt0 -41.77 132.49 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.454 ' HB2' HG12 ' A' ' 108' ' ' VAL . 8.1 mt -112.86 161.71 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.423 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.36 173.79 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -74.99 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.48 -5.35 15.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.33 36.88 19.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p -121.96 152.42 39.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.09 112.28 24.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.22 -158.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.02 72.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t0 47.91 -171.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.62 114.0 32.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.0 170.95 19.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.94 154.79 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.696 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.94 149.99 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 40.2 m-85 -146.69 105.83 3.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.09 124.75 27.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -87.96 75.77 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' A' ' 11' ' ' LEU . 64.2 mt-30 -63.11 163.53 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -43.82 165.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 87.27 -155.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.1 p -117.62 143.76 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.632 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.9 m -123.35 103.39 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -75.12 119.07 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG22 ' HB ' ' A' ' 50' ' ' ILE . 92.6 t -95.18 168.05 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.552 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.33 -145.86 17.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 52' ' ' LEU . 33.0 p -112.43 -10.92 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.59 150.71 26.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -102.54 113.44 26.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -104.37 -54.38 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.75 173.54 11.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -72.35 -20.91 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -107.88 54.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.632 ' HA ' HG23 ' A' ' 38' ' ' THR . 41.2 m -127.43 151.8 48.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.652 ' HB ' HG22 ' A' ' 40' ' ' VAL . 51.9 mt -87.25 119.28 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' C ' HD13 ' A' ' 52' ' ' LEU . 7.3 tt0 -114.52 98.51 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 42' ' ' THR . 0.4 OUTLIER -97.9 167.47 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -146.95 112.35 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.65 160.7 30.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.15 3.42 8.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -84.15 152.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -114.5 177.46 1.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -60.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 12.2 t-160 -99.4 75.94 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.55 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -64.42 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.414 ' HG ' ' HE1' ' A' ' 103' ' ' PHE . 18.9 p -148.09 176.34 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.262 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 2.4 m-20 -136.2 122.4 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.515 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -91.54 116.53 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.441 ' OG1' HG23 ' A' ' 37' ' ' VAL . 68.9 m -116.42 118.75 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -84.88 106.67 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.08 97.88 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 70' ' ' VAL . 3.9 m-20 70.0 59.65 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.25 20.08 9.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 68' ' ' ASP . 74.9 t -125.11 146.47 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 53.5 t -127.39 143.45 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.819 HG22 ' HA ' ' A' ' 94' ' ' MET . 17.6 p -136.77 120.16 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.605 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.5 p -69.71 124.37 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -124.11 105.46 31.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.11 8.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.4 mmm180 -120.73 19.99 11.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.1 122.24 35.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -79.53 62.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.7 m-20 171.41 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.55 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -61.34 121.51 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 15.7 mt-10 -91.1 122.02 33.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.5 HG23 ' CE1' ' A' ' 103' ' ' PHE . 91.5 m -128.17 102.89 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 36.1 m-85 -107.19 118.88 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 60.7 t -92.94 92.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.6 t70 83.51 29.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.16 23.01 53.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -133.11 112.45 11.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.19 151.84 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 73' ' ' VAL . 27.0 pt -112.96 174.51 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -141.81 17.81 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER 175.53 -174.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.0 m -57.65 102.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.8 m -110.16 129.21 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.819 ' HA ' HG22 ' A' ' 72' ' ' THR . 42.6 ttm -58.37 149.78 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.605 HD11 ' HB ' ' A' ' 73' ' ' VAL . 62.6 mt -117.67 141.39 48.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.06 158.63 25.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 p -70.46 120.16 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.01 -31.08 7.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.03 143.85 9.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -88.62 147.1 24.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.21 115.62 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.366 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.4 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 12.5 tt0 -115.25 111.52 21.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 83.2 m-85 -114.07 86.79 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.46 26.02 24.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.4 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 5.5 t 39.31 51.49 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -146.09 -49.67 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -108.66 93.89 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 17' ' ' LEU . 46.4 t -87.12 137.35 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -134.75 170.1 16.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -132.1 112.45 12.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.95 ' HA ' HD23 ' A' ' 14' ' ' LEU . 2.6 t80 -78.55 136.41 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.807 HG11 ' CE2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -130.03 156.6 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -135.86 93.13 15.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.98 -3.98 14.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -19.76 62.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.29 -135.83 4.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 82.87 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.4 p -55.48 123.41 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t 61.19 146.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -94.61 121.87 36.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.793 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.04 110.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.71 94.35 0.96 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.3 OUTLIER 177.6 89.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.997 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.2 m 83.23 -65.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.36 93.09 2.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.72 20.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.22 26.87 3.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -154.05 36.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 92.3 mt -111.42 146.82 35.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.611 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.966 ' CD1' HD21 ' A' ' 30' ' ' LEU . 50.1 p90 -141.19 164.44 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.867 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -117.07 139.2 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 16' ' ' GLU . 5.9 p -115.07 106.68 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' CD2' ' A' ' 109' ' ' PHE . 29.7 tt0 -35.05 122.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.2 mt -122.18 167.03 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 167.61 29.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -2.99 13.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.03 -15.87 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.65 42.86 3.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.3 m -124.54 163.39 21.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -100.13 135.87 40.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 p -70.79 176.47 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -85.63 47.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.61 -167.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -93.78 116.54 66.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.89 32.46 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.21 151.36 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.966 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -123.46 157.73 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 21.6 m-85 -150.77 111.93 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 2.0 mtt-85 -89.65 142.33 27.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.638 HD21 HD13 ' A' ' 64' ' ' LEU . 75.7 mt -100.28 78.38 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -67.51 167.91 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 15.4 mt -40.75 158.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 85.99 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.7 p -105.18 139.72 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.7 m -117.05 122.13 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -97.65 126.47 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.701 ' CG1' HD23 ' A' ' 52' ' ' LEU . 11.8 t -103.98 148.37 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.76 -141.35 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 52' ' ' LEU . 51.3 p -116.05 7.71 14.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.779 . . . . 0.0 110.449 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 160.07 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -107.32 117.15 33.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -114.67 -9.36 12.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.1 -168.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.09 -27.15 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -93.83 33.35 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.434 ' HA ' HG23 ' A' ' 38' ' ' THR . 19.9 m -110.49 148.69 31.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.908 HG22 ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -92.44 127.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.87 110.91 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.908 ' CD2' HG22 ' A' ' 50' ' ' ILE . 4.0 mm? -108.05 135.82 48.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.25 113.21 18.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.88 166.51 39.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.54 2.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.75 16.83 6.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 5.4 mm -101.63 152.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.562 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -121.83 -178.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.96 -58.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -102.34 74.6 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.592 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 4.8 t60 -57.64 -68.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.2 p -152.68 164.23 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -111.07 132.96 53.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.638 HD13 HD21 ' A' ' 33' ' ' LEU . 3.5 mt -112.66 110.4 20.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.5 m -108.13 146.88 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -119.37 107.38 13.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -118.68 99.15 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.69 22.08 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.68 -18.62 56.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.3 143.58 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.611 HG21 ' HG2' ' A' ' 12' ' ' PRO . 48.0 t -135.22 136.95 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.804 HG22 ' HA ' ' A' ' 94' ' ' MET . 10.0 p -136.68 119.03 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 89' ' ' ILE . 3.3 p -69.09 119.5 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.589 HG23 ' OG1' ' A' ' 92' ' ' THR . 61.9 m -119.61 105.37 43.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.22 5.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -119.56 30.84 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.19 124.02 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.4 ttp -80.14 60.42 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.8 m-20 170.47 -32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.494 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -65.68 102.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 13.6 mp0 -75.83 125.72 29.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.406 HG21 HG21 ' A' ' 73' ' ' VAL . 3.2 m -127.91 110.98 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.543 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 37.3 m-85 -115.47 116.62 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.6 t -92.75 91.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.3 t70 82.7 31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.93 7.35 84.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -114.65 115.11 26.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.543 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 8.1 ttt180 -69.71 153.28 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.564 HD13 HG13 ' A' ' 73' ' ' VAL . 7.0 pt -124.25 150.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.64 -15.22 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -142.33 -177.61 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.589 ' OG1' HG23 ' A' ' 74' ' ' THR . 20.1 m -56.61 102.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.6 m -103.63 130.53 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.804 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -63.3 156.3 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.507 HD13 HD11 ' A' ' 101' ' ' LEU . 29.8 mt -116.02 138.43 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -120.91 154.87 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.5 p -67.74 122.23 17.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.16 -32.79 6.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.7 142.69 49.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 109' ' ' PHE . 2.6 mtm-85 -88.56 151.44 22.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -125.97 106.17 9.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.505 ' HG3' HG12 ' A' ' 108' ' ' VAL . 2.6 tt0 -91.41 133.35 35.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 101' ' ' LEU . 14.7 m-85 -124.07 71.28 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 96.73 39.13 4.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.491 ' CG2' ' CE2' ' A' ' 83' ' ' TYR . 17.7 p 32.41 45.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.6 p -144.37 -47.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -122.81 105.0 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.616 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.58 ' C ' ' CD1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -104.24 165.18 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 30.4 m-85 -150.18 160.52 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -111.98 112.83 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 2.4 t80 -79.08 129.51 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.9 t -127.78 145.29 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -112.16 97.55 39.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.453 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 -4.81 15.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -66.78 -52.39 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.99 143.57 6.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.93 11.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.7 m 42.34 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 t -127.23 97.17 4.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 19.7 mt -100.16 155.02 36.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -74.97 137.75 22.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.655 ' CD2' HD21 ' A' ' 30' ' ' LEU . 37.3 p90 -131.53 163.23 28.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.7 mt -115.34 109.47 17.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.619 ' O ' HG13 ' A' ' 15' ' ' VAL . 7.2 p -92.68 102.73 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 17' ' ' LEU . 25.4 tt0 -45.59 133.27 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.6 mt -118.34 163.68 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -51.85 174.27 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.39 -11.13 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 41.11 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.977 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.07 153.3 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.655 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.97 139.22 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 64.1 m-85 -131.82 97.81 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -70.07 110.53 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' HD11 ' A' ' 50' ' ' ILE . 32.0 mt -73.46 88.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HA ' HD13 ' A' ' 11' ' ' LEU . 47.7 mt-30 -71.95 158.24 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.8 mt -40.09 157.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.2 m 85.59 163.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.511 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.4 p -71.08 138.57 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 23.3 m -121.3 103.98 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 23.3 mp0 -72.78 139.55 47.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG2' HD22 ' A' ' 64' ' ' LEU . 16.5 t -114.3 168.12 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 127.05 -151.51 18.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 52' ' ' LEU . 69.2 p -104.52 -17.65 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.94 157.68 26.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 40' ' ' VAL . 15.8 mt -95.3 119.61 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -112.3 98.87 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.771 ' O ' HG22 ' A' ' 42' ' ' THR . 89.7 mt -103.34 143.66 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.85 112.25 13.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.36 159.84 30.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.02 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 116.11 15.19 7.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -99.08 152.8 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 1.6 mm-40 -112.43 175.11 1.99 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.05 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 1.7 t-160 -107.67 78.69 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.488 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.4 t60 -69.64 -70.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.78 168.62 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.495 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.2 m-20 -127.12 121.82 32.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -88.09 115.36 25.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.511 ' OG1' HG23 ' A' ' 37' ' ' VAL . 60.7 m -115.44 118.31 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -92.61 106.6 18.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 mmt -118.76 97.46 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 1.021 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER 67.55 68.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.14 27.11 2.46 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.436 1.085 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 68' ' ' ASP . 46.3 t -130.62 134.32 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 95' ' ' LEU . 21.6 t -124.89 139.09 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.1 p -133.51 125.04 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.388 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.59 HG13 HD13 ' A' ' 89' ' ' ILE . 2.7 p -70.27 124.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -122.92 105.29 35.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -78.91 -22.77 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -127.55 132.95 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -35.97 78.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.32 -40.18 89.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.488 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -63.61 97.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 12.7 mp0 -67.35 120.25 13.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.7 m -128.26 110.18 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 81' ' ' GLU . 28.7 m-85 -113.46 118.46 34.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.51 HG21 HG11 ' A' ' 73' ' ' VAL . 57.3 t -92.27 91.72 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER 80.67 37.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.67 18.72 77.02 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -127.58 115.86 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.59 154.12 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.59 HD13 HG13 ' A' ' 73' ' ' VAL . 13.7 pt -120.65 166.1 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 m -135.44 10.33 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -174.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.496 HG22 ' HB ' ' A' ' 72' ' ' THR . 36.8 m -51.46 107.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.419 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.3 m -113.8 118.69 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.919 ' HA ' HG22 ' A' ' 72' ' ' THR . 37.1 ttm -52.92 139.48 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 71' ' ' VAL . 76.5 mt -107.31 143.73 35.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -129.28 154.57 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -62.18 125.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.1 -34.43 5.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 95' ' ' LEU . 4.3 mtm -55.57 135.09 51.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.761 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -89.07 160.93 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -138.87 107.68 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.571 HE21 HG22 ' A' ' 105' ' ' THR . 14.3 tt0 -96.01 116.6 29.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -109.19 106.45 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 69.0 35.3 78.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.571 HG22 HE21 ' A' ' 102' ' ' GLN . 18.8 p 37.7 56.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.37 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.6 p -166.5 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -100.96 93.96 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.433 HG12 ' HB2' ' A' ' 17' ' ' LEU . 40.5 t -98.02 135.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' LEU . 17.6 m-85 -135.38 154.78 51.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.472 ' HD3' HG23 ' A' ' 112' ' ' VAL . 0.2 OUTLIER -118.4 119.47 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.6 t80 -86.64 133.64 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.527 HG11 ' OH ' ' A' ' 13' ' ' TYR . 11.1 t -132.37 143.0 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -113.18 104.89 55.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.01 -13.15 21.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 34' ' ' GLN . 31.4 mt -95.85 155.04 38.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.96 29.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.626 ' HD2' HD21 ' A' ' 30' ' ' LEU . 23.6 p90 -135.45 161.79 34.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 11.7 mt -117.95 108.63 15.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.733 HG23 HD23 ' A' ' 30' ' ' LEU . 9.1 p -92.89 105.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' HD23 ' A' ' 17' ' ' LEU . 22.8 tt0 -48.19 132.12 16.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.6 mt -118.44 164.07 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.79 171.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.42 13.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.2 -6.34 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.26 38.45 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 152.11 46.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.733 HD23 HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -130.92 150.5 52.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -148.35 102.05 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.34 112.11 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 14' ' ' LEU . 22.8 mt -73.48 88.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.564 ' HA ' HD13 ' A' ' 11' ' ' LEU . 51.1 mt-30 -72.57 159.28 34.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.5 mt -40.17 156.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.4 m 85.83 162.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.7 p -67.63 147.99 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 m -131.92 103.13 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 49.5 mp0 -73.14 136.53 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.62 ' CG2' HD22 ' A' ' 64' ' ' LEU . 54.0 t -113.14 168.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.538 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 129.4 -146.63 17.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 52' ' ' LEU . 16.3 p -112.79 8.28 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.33 175.24 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.569 HD12 HG22 ' A' ' 40' ' ' VAL . 50.5 mt -74.62 113.57 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.42 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' THR . 0.8 OUTLIER -127.02 167.36 16.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -145.62 122.22 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.59 158.0 29.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.78 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 129.85 -4.14 6.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.0 mm -79.45 152.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.49 175.89 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.02 -53.83 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.425 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 1.2 t-160 -104.82 77.63 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.56 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.27 -71.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 74' ' ' THR . 25.2 p -148.74 165.81 30.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -122.76 115.98 22.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -85.28 113.1 21.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.567 ' OG1' HG23 ' A' ' 37' ' ' VAL . 89.0 m -114.9 122.05 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -94.57 106.68 18.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -118.97 98.83 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.944 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.3 t70 67.09 61.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.79 23.87 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 68' ' ' ASP . 25.0 t -125.68 136.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 95' ' ' LEU . 46.0 t -125.92 136.94 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.793 HG22 ' HA ' ' A' ' 94' ' ' MET . 31.5 p -131.37 120.28 22.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.627 HG13 HD13 ' A' ' 89' ' ' ILE . 4.2 p -68.48 124.83 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.506 HG23 ' OG1' ' A' ' 92' ' ' THR . 38.0 m -127.98 108.21 20.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -73.84 -22.63 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.0 m -129.87 140.05 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.7 mtp -70.78 -44.25 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -36.19 25.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.36 105.81 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 8.4 mp0 -79.37 114.7 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -120.93 105.55 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 88' ' ' ARG . 48.8 m-85 -106.05 115.46 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.498 HG12 ' SD ' ' A' ' 99' ' ' MET . 92.7 t -87.2 91.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER 74.98 31.46 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.01 46.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.1 mt-30 -127.9 111.09 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -71.47 132.99 45.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.627 HD13 HG13 ' A' ' 73' ' ' VAL . 26.8 pt -98.24 169.0 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.82 10.62 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.4 pt-20 -177.36 -175.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.506 ' OG1' HG23 ' A' ' 74' ' ' THR . 48.9 m -55.39 102.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.427 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.8 m -109.84 131.66 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.793 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -60.99 150.04 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.592 HD11 ' HB ' ' A' ' 73' ' ' VAL . 75.7 mt -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -133.25 145.8 50.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 p -52.87 128.3 26.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.23 -38.72 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.498 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -52.36 137.15 29.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 111.028 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -91.23 155.71 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -133.52 108.69 8.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.441 ' HB2' HG22 ' A' ' 108' ' ' VAL . 45.3 tt0 -102.98 106.53 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 101' ' ' LEU . 12.9 m-30 -92.31 97.03 10.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 97.92 -95.87 1.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER 178.26 57.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -179.1 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -101.25 119.52 38.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.583 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 102' ' ' GLN . 11.1 t -123.92 147.09 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 24.1 m-85 -139.45 150.68 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.27 118.69 34.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.496 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 2.7 t80 -86.87 135.92 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 23.6 t -134.42 147.59 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -114.77 103.2 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.502 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -8.24 19.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.643 HD22 ' CD2' ' A' ' 35' ' ' LEU . 90.2 mt -121.36 150.76 55.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.04 137.86 22.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.602 ' CD2' HD21 ' A' ' 30' ' ' LEU . 49.6 p90 -134.44 168.42 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 64' ' ' LEU . 16.8 mt -120.18 109.0 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 15' ' ' VAL . 8.0 p -92.59 102.62 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 22.0 tt0 -44.51 135.4 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.1 mt -118.96 164.77 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.29 172.34 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.72 -3.38 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.58 38.96 11.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.972 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 152.53 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.37 161.28 31.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 44.1 m-85 -155.38 102.01 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -69.58 117.77 11.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.417 HD22 HG21 ' A' ' 38' ' ' THR . 13.0 mt -83.31 79.9 9.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.409 ' HA ' HD13 ' A' ' 11' ' ' LEU . 24.9 mt-30 -54.31 166.96 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.643 ' CD2' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.56 103.87 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 96.9 p 172.44 -134.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.47 104.65 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.417 HG21 HD22 ' A' ' 33' ' ' LEU . 2.0 m -98.64 101.63 13.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -83.47 125.17 31.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 ' HB ' ' A' ' 50' ' ' ILE . 85.2 t -101.85 151.25 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.38 -139.56 9.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 52' ' ' LEU . 70.9 p -118.91 8.22 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 0.809 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -105.47 173.05 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 40' ' ' VAL . 87.1 mt -101.57 117.58 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -112.98 98.83 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.695 ' O ' HG22 ' A' ' 42' ' ' THR . 52.3 mt -103.17 147.07 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -129.48 117.29 20.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.12 162.85 33.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 102.65 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 114.86 20.53 5.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.21 152.73 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 2.0 mm-40 -115.75 177.59 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -98.33 75.37 2.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.603 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.5 t60 -63.24 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' THR . 30.9 p -154.91 171.08 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -124.88 112.24 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 14' ' ' LEU . 5.7 mt -85.14 95.17 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.5 m -100.22 147.77 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.536 ' HB3' HD13 ' A' ' 35' ' ' LEU . 57.7 t-20 -114.05 107.4 15.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.25 98.44 6.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER 65.97 75.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.48 30.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 68' ' ' ASP . 51.1 t -136.25 131.11 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 95' ' ' LEU . 7.7 t -120.75 138.8 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 94' ' ' MET . 21.5 p -133.74 120.77 20.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 89' ' ' ILE . 3.5 p -66.75 123.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.428 HG23 ' OG1' ' A' ' 92' ' ' THR . 33.8 m -121.7 104.85 38.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.02 115.96 4.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -90.28 -1.71 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -131.72 131.53 43.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mtt -76.3 -23.99 54.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.33 -30.44 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.603 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -66.93 102.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.557 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.1 mt-10 -74.83 117.71 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.432 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 2.1 m -127.63 105.57 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 23.4 m-85 -107.71 116.57 32.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.3 t -87.72 91.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.9 t0 79.76 26.75 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.21 7.44 62.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.86 114.94 26.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -69.09 152.12 45.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 73' ' ' VAL . 6.4 pt -120.69 153.1 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 32.1 t -121.96 -4.22 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 90' ' ' SER . 36.7 mt-10 -158.98 -173.6 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.428 ' OG1' HG23 ' A' ' 74' ' ' THR . 14.8 m -58.92 105.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -110.48 136.36 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.618 ' HA ' HG22 ' A' ' 72' ' ' THR . 15.3 ttm -65.0 153.7 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.46 HD12 HG12 ' A' ' 71' ' ' VAL . 81.3 mt -119.21 146.16 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -134.04 132.59 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -42.45 132.36 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.83 -31.01 9.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.438 ' SD ' HG12 ' A' ' 84' ' ' VAL . 1.4 mtm -59.16 138.6 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 158.05 17.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -134.25 107.02 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.436 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 13.6 tt0 -101.37 115.49 30.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 96.1 m-85 -109.9 101.2 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.68 35.44 51.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 20.6 p 37.74 52.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t -156.44 -54.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -93.12 98.72 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 17' ' ' LEU . 24.7 t -101.85 133.57 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 17.7 m-85 -136.56 156.67 48.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.473 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.1 121.26 40.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 3.5 t80 -89.69 136.49 33.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 25.1 t -134.86 150.79 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -119.94 102.5 46.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -18.64 18.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.878 HD22 ' HA ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -68.36 153.0 96.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.574 ' O ' HD12 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 134.98 18.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD1' HD21 ' A' ' 30' ' ' LEU . 50.6 p90 -125.32 168.91 12.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.669 HD12 HD21 ' A' ' 33' ' ' LEU . 27.5 mt -119.35 112.23 19.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 15' ' ' VAL . 10.0 p -96.37 105.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' HD23 ' A' ' 17' ' ' LEU . 23.8 tt0 -48.47 138.4 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.632 ' HB2' HG12 ' A' ' 108' ' ' VAL . 13.4 mt -121.64 165.43 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.88 174.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.783 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -14.55 12.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.51 6.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.014 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.52 153.64 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -122.63 132.2 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.424 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.6 m-85 -119.06 77.71 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.454 ' NH1' ' CD2' ' A' ' 30' ' ' LEU . 1.7 mmt-85 -51.54 128.92 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.669 HD21 HD12 ' A' ' 14' ' ' LEU . 18.3 mt -90.91 62.03 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.878 ' HA ' HD22 ' A' ' 11' ' ' LEU . 25.7 mt-30 -37.04 143.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.8 mt -39.81 158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 84.62 164.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 11.5 p -68.9 136.71 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.495 HG23 ' HA ' ' A' ' 49' ' ' SER . 99.6 m -120.01 108.71 14.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 119.82 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.659 ' CG2' HD22 ' A' ' 64' ' ' LEU . 58.0 t -96.08 167.68 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.535 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 123.05 -154.93 17.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.98 HG22 ' O ' ' A' ' 52' ' ' LEU . 80.9 p -105.69 -7.28 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.78 148.87 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.495 ' HA ' HG23 ' A' ' 38' ' ' THR . 64.3 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' CD2' ' A' ' 33' ' ' LEU . 36.0 mt -114.57 119.19 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -109.65 112.66 24.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.98 ' O ' HG22 ' A' ' 42' ' ' THR . 75.6 mt -115.29 140.12 49.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -124.97 112.67 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.63 159.75 28.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.12 8.56 9.4 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.5 mm -84.72 152.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -111.67 176.59 1.45 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -53.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -106.5 78.84 1.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.3 t60 -67.64 -68.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 74' ' ' THR . 14.8 p -153.47 174.12 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -130.05 117.67 20.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.659 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -84.84 111.37 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.4 m -105.55 112.91 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' HD2' ' A' ' 12' ' ' PRO . 52.0 t-20 -90.91 107.24 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mmt -117.95 114.15 22.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 54.81 25.61 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.42 -24.59 31.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.44 138.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 0.781 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.654 HG12 HD12 ' A' ' 95' ' ' LEU . 24.9 t -123.26 144.74 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.727 HG22 ' HA ' ' A' ' 94' ' ' MET . 9.9 p -137.67 120.81 16.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.645 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.8 p -73.19 126.21 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 91.0 m -128.77 107.51 18.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.451 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.99 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 -22.84 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -129.58 142.12 50.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -46.49 56.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.45 -34.87 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.51 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -71.45 104.83 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.04 122.47 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.233 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -127.2 100.81 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 88' ' ' ARG . 37.7 m-85 -98.65 115.49 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 89.2 t -86.76 91.55 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.7 t0 79.21 25.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.34 22.86 28.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -132.11 110.87 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 ttm180 -69.51 144.03 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.623 HD13 HG13 ' A' ' 73' ' ' VAL . 13.4 pt -108.33 168.98 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -136.27 10.7 3.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' O ' HD12 ' A' ' 89' ' ' ILE . 4.2 pt-20 -176.97 -178.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.8 m -51.14 104.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.437 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG12 ' A' ' 73' ' ' VAL . 4.4 m -112.9 125.01 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.727 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -59.9 146.28 42.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.654 HD12 HG12 ' A' ' 71' ' ' VAL . 83.2 mt -112.95 144.39 42.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -127.52 143.87 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 p -51.28 128.3 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.26 -34.43 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.438 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -53.82 140.47 30.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.986 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.0 147.96 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.575 HD13 HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -122.52 107.15 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.4 tt0 -102.44 116.4 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CZ ' HD22 ' A' ' 101' ' ' LEU . 97.7 m-85 -107.9 106.81 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.23 37.23 94.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.413 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 1.7 t 37.99 53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.8 m -152.14 -47.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -103.46 113.36 26.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.632 HG12 ' HB2' ' A' ' 17' ' ' LEU . 54.8 t -112.63 134.27 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 29.1 m-85 -142.25 142.03 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -104.7 111.92 24.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.7 t80 -80.04 132.7 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.7 t -132.47 153.54 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.97 101.45 45.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -9.57 20.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.807 HD22 ' HA ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -129.96 158.11 74.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.569 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.3 Cg_endo -74.97 133.99 17.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.721 ' CD1' HD21 ' A' ' 30' ' ' LEU . 51.6 p90 -130.06 164.54 24.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.891 HD21 HD13 ' A' ' 101' ' ' LEU . 11.8 mt -109.65 146.24 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 110' ' ' LYS . 13.5 p -133.03 107.49 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 17' ' ' LEU . 21.8 tt0 -50.91 135.2 24.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 16' ' ' GLU . 13.1 mt -120.66 164.98 15.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -56.08 173.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.99 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 -13.25 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.09 5.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.24 155.22 40.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.2 131.5 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 52' ' ' LEU . 2.8 m-85 -119.84 83.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.54 136.0 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' GLN . 12.9 mt -95.11 57.83 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.807 ' HA ' HD22 ' A' ' 11' ' ' LEU . 28.0 mt-30 -36.7 144.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -39.93 158.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 85.85 163.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.4 p -67.56 127.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -111.29 109.25 19.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' OE1' ' CD2' ' A' ' 60' ' ' HIS . 2.4 mt-10 -71.25 132.35 44.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.695 ' CG2' HD22 ' A' ' 64' ' ' LEU . 61.0 t -110.57 155.51 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.76 -157.0 21.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.912 HG22 ' O ' ' A' ' 52' ' ' LEU . 66.2 p -105.06 20.87 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.6 169.62 8.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 tttm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' HG13 ' A' ' 40' ' ' VAL . 29.0 mt -100.56 115.26 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.0 105.28 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.912 ' O ' HG22 ' A' ' 42' ' ' THR . 48.7 mt -108.46 155.58 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -140.14 116.69 10.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.79 160.52 31.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.01 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 122.2 8.09 7.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 103' ' ' PHE . 14.2 mm -88.87 152.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 2.2 mm-40 -112.67 174.14 2.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 58' ' ' GLN . 18.6 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.481 ' HE2' ' CG ' ' A' ' 63' ' ' ASP . 18.4 t-160 -103.76 77.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.458 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.6 t60 -69.41 -68.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.614 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.4 p -154.36 173.05 16.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.481 ' CG ' ' HE2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -131.04 115.51 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.695 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -84.7 109.11 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 37' ' ' VAL . 84.9 m -105.37 114.56 28.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.441 ' HB3' HD23 ' A' ' 35' ' ' LEU . 31.7 t-20 -89.01 105.89 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.43 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 4.3 mmt -119.47 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 1.019 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.31 71.43 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.44 28.05 1.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 68' ' ' ASP . 48.9 t -132.5 139.76 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.627 HG12 HD12 ' A' ' 95' ' ' LEU . 24.8 t -130.23 145.8 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.742 HG22 ' HA ' ' A' ' 94' ' ' MET . 20.3 p -136.9 119.69 16.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.671 HG13 HD13 ' A' ' 89' ' ' ILE . 2.7 p -67.34 125.91 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.1 m -127.85 104.01 21.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.02 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 60' ' ' HIS . 23.7 mmm-85 -113.51 23.36 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.86 127.92 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.414 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -82.7 60.46 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.2 m-20 171.24 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.458 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -60.53 103.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 10.4 mm-40 -77.32 125.78 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -128.5 107.66 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 51.2 m-85 -108.68 113.61 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 84.1 t -89.68 91.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.5 t0 78.94 28.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.64 54.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -125.48 113.12 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 7.7 ttt-85 -71.84 131.31 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.671 HD13 HG13 ' A' ' 73' ' ' VAL . 6.9 pt -94.15 165.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -134.15 9.34 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.9 pt-20 -178.94 -175.11 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 72' ' ' THR . 7.9 m -51.19 103.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.4 m -112.94 117.02 30.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.742 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.15 145.64 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.627 HD12 HG12 ' A' ' 71' ' ' VAL . 87.7 mt -111.96 146.44 37.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -131.91 146.25 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 p -54.72 127.24 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.09 -28.37 13.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.45 141.58 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -89.03 154.45 20.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.891 HD13 HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -129.16 107.1 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' A' ' 83' ' ' TYR . 26.3 tt0 -96.1 131.43 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 90.2 m-85 -129.01 85.78 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 80.29 40.53 13.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.696 ' O ' HG23 ' A' ' 105' ' ' THR . 3.6 t 35.9 41.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 -51.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -97.15 103.52 15.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 17' ' ' LEU . 32.5 t -110.99 126.39 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 14.6 m-85 -134.98 142.96 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.794 ' O ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -101.62 120.13 39.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.9 t80 -81.84 138.75 35.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.582 HG11 ' OH ' ' A' ' 13' ' ' TYR . 25.4 t -132.45 150.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -124.0 104.0 33.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -24.42 12.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 19.5 mt -102.69 154.89 37.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.496 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.03 139.26 23.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.67 ' CD1' HD21 ' A' ' 30' ' ' LEU . 48.7 p90 -136.11 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.6 mt -117.9 109.74 16.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.3 p -92.57 101.86 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.8 tt0 -42.86 136.22 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.5 mt -117.63 165.43 13.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 171.97 1.92 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 0.24 9.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.16 2.59 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.65 46.34 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.023 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.48 152.17 46.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.88 146.23 52.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 50.3 m-85 -136.76 96.75 3.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -69.29 116.65 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' CD2' HD11 ' A' ' 50' ' ' ILE . 15.9 mt -81.89 91.47 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 26.7 mt-30 -71.63 154.16 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.1 mt -39.77 157.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 86.01 166.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.884 HG23 ' OD1' ' A' ' 63' ' ' ASP . 10.5 p -71.87 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 97.3 m -120.39 104.54 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 10.9 mp0 -71.1 145.52 49.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.622 HG22 HD12 ' A' ' 50' ' ' ILE . 24.6 t -120.77 168.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.503 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 128.95 -142.84 13.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.3 p -116.58 9.53 14.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.67 167.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.622 HD12 HG22 ' A' ' 40' ' ' VAL . 31.2 mt -94.48 124.12 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.84 104.69 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' PHE . 32.6 mt -107.68 162.73 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 9.0 m-85 -146.01 114.73 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.05 160.8 33.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.94 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.437 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 116.16 14.59 7.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -97.95 152.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.493 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.9 mm-40 -115.86 177.85 1.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 5.1 t-160 -101.96 77.25 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.61 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.452 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.3 t60 -65.54 -69.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.598 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' HG23 ' A' ' 73' ' ' VAL . 15.5 p -154.2 176.54 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.884 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -131.53 125.32 32.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.49 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -91.87 116.04 28.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.6 m -110.83 114.09 27.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 61.7 t30 -92.19 120.51 32.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 1.026 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -118.62 95.12 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.5 7.65 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.14 -28.67 4.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.026 HG12 ' O ' ' A' ' 67' ' ' MET . 14.8 p -72.93 131.84 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.536 HG12 HD12 ' A' ' 95' ' ' LEU . 42.4 t -117.31 140.53 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.691 HG22 ' HA ' ' A' ' 94' ' ' MET . 55.5 p -134.6 121.12 20.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.441 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.723 HG13 HD13 ' A' ' 89' ' ' ILE . 2.5 p -74.52 123.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.609 ' OG1' HG23 ' A' ' 92' ' ' THR . 85.8 m -122.97 105.71 34.57 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 129.82 12.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -125.62 29.55 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.18 132.14 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.75 61.71 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' MET . 8.4 m-20 169.42 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -61.98 115.87 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mm-40 -89.78 127.9 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.644 HG21 HG21 ' A' ' 73' ' ' VAL . 25.6 m -128.2 102.42 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.623 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 70.1 m-85 -107.04 112.62 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 76.0 t -91.53 91.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 9.8 t0 82.91 33.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.85 18.62 69.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -127.31 112.48 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -66.51 152.76 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.723 HD13 HG13 ' A' ' 73' ' ' VAL . 10.4 pt -119.37 153.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.54 -5.89 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -156.93 -174.15 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.609 HG23 ' OG1' ' A' ' 74' ' ' THR . 71.4 m -56.05 104.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.42 ' O ' HG12 ' A' ' 73' ' ' VAL . 5.8 m -109.57 127.32 54.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.691 ' HA ' HG22 ' A' ' 72' ' ' THR . 4.2 ttp -60.78 156.9 16.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.536 HD12 HG12 ' A' ' 71' ' ' VAL . 69.5 mt -121.41 146.03 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -129.53 147.42 51.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -57.17 125.23 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.73 -36.69 4.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.59 146.35 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.436 ' NH2' ' OE1' ' A' ' 102' ' ' GLN . 0.7 OUTLIER -89.19 153.06 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -123.16 116.75 23.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.436 ' OE1' ' NH2' ' A' ' 100' ' ' ARG . 2.7 tt0 -107.9 125.33 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 84.7 m-85 -127.61 79.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.81 30.44 10.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.069 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.3 p 39.43 41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 p -142.71 -47.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -104.74 95.86 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.617 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 38.5 t -93.03 129.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 16.4 m-85 -125.23 173.15 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.482 ' HD3' HG23 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -133.56 118.28 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.487 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 3.8 t80 -84.44 134.61 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.482 HG23 ' HD3' ' A' ' 110' ' ' LYS . 5.0 t -134.53 146.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.47 104.88 51.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.06 -8.94 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' CD ' ' HA ' ' A' ' 115' ' ' SER . 3.9 mttm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 89.3 mt -118.49 148.06 43.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.639 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.03 137.57 21.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.921 ' C ' HD13 ' A' ' 14' ' ' LEU . 40.4 p90 -140.67 162.8 34.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.921 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -110.07 123.29 49.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' LYS . 11.6 p -103.82 121.32 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 17' ' ' LEU . 12.6 tt0 -51.12 126.86 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 110' ' ' LYS . 5.4 mt -113.71 162.07 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.45 170.87 1.99 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -111.09 -17.09 13.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.43 41.87 2.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.954 -0.441 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 152.24 46.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.22 160.93 33.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 61.0 m-85 -149.44 99.57 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 133.7 42.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.716 HD22 HD23 ' A' ' 64' ' ' LEU . 18.7 mt -100.71 106.37 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -81.58 158.31 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.905 HD23 ' HB3' ' A' ' 66' ' ' ASN . 16.6 mt -47.99 171.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m 78.14 -150.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.674 HG13 ' OD1' ' A' ' 63' ' ' ASP . 49.0 t -106.73 150.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.629 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.4 m -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.65 114.4 9.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 41' ' ' GLY . 41.6 t -92.28 167.84 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.513 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.85 -135.37 8.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 52' ' ' LEU . 15.8 p -122.88 8.56 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 157.7 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tptt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.629 ' HA ' HG23 ' A' ' 38' ' ' THR . 95.4 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.528 HG22 ' HG ' ' A' ' 52' ' ' LEU . 48.0 mt -93.62 128.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.99 99.02 6.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HG ' HG22 ' A' ' 50' ' ' ILE . 9.1 mt -107.02 164.74 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -144.34 117.65 9.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.65 35.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.442 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 113.44 21.85 5.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.5 mm -103.66 152.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.532 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.1 mm-40 -117.11 179.83 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -105.39 76.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.586 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.4 t60 -59.89 -60.12 4.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.5 178.4 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.674 ' OD1' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -132.91 121.17 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.716 HD23 HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -90.33 114.64 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.5 m -113.43 121.19 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.905 ' HB3' HD23 ' A' ' 35' ' ' LEU . 33.9 t-20 -96.05 105.97 18.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.158 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -119.54 97.55 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.95 ' O ' HG23 ' A' ' 70' ' ' VAL . 13.2 m-20 67.48 66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.1 30.43 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.95 HG23 ' O ' ' A' ' 68' ' ' ASP . 61.7 t -131.79 133.42 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.639 HG21 ' HG2' ' A' ' 12' ' ' PRO . 42.5 t -121.31 141.81 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.699 HG22 ' HA ' ' A' ' 94' ' ' MET . 23.7 p -137.33 119.17 15.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.62 HG13 HD13 ' A' ' 89' ' ' ILE . 2.3 p -68.85 115.83 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.881 ' OG1' HG23 ' A' ' 92' ' ' THR . 58.8 m -117.79 105.28 47.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -114.49 29.51 7.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.72 122.74 27.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.415 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.1 tpt -77.92 60.5 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.22 -32.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -64.0 112.94 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 24.7 mm-40 -86.13 129.65 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 73' ' ' VAL . 21.8 m -128.82 106.05 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.618 ' CE2' HG23 ' A' ' 105' ' ' THR . 52.5 m-85 -108.31 115.51 30.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 80.5 t -96.16 91.63 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.6 t0 79.21 33.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.61 26.32 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -133.3 113.45 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' CD ' ' OE1' ' A' ' 81' ' ' GLU . 7.6 ttt-85 -71.42 139.47 49.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.62 HD13 HG13 ' A' ' 73' ' ' VAL . 11.2 pt -108.15 150.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.65 -14.05 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -143.13 -175.06 4.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.881 HG23 ' OG1' ' A' ' 74' ' ' THR . 85.6 m -59.15 105.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 73' ' ' VAL . 21.2 m -104.56 134.23 48.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.699 ' HA ' HG22 ' A' ' 72' ' ' THR . 32.6 ttm -66.6 155.23 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD12 HG12 ' A' ' 71' ' ' VAL . 65.5 mt -118.64 140.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.89 142.27 47.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.45 132.32 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.43 -49.05 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -38.52 138.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 16.6 mtp180 -89.29 155.4 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -131.51 106.83 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.456 ' OE1' ' CG2' ' A' ' 108' ' ' VAL . 6.6 tt0 -100.35 123.99 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.496 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 90.7 m-85 -120.07 78.05 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 98.03 35.83 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.618 HG23 ' CE2' ' A' ' 83' ' ' TYR . 6.1 p 36.31 36.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 p -133.25 -57.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 78.0 m-70 -97.88 108.14 20.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.456 ' CG2' ' OE1' ' A' ' 102' ' ' GLN . 38.0 t -106.01 121.75 58.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 62.8 m-85 -121.62 164.73 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.53 ' HB2' HD11 ' A' ' 17' ' ' LEU . 9.1 tttt -119.64 120.63 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.495 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 7.3 t80 -78.27 134.03 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.493 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 54.2 t -135.27 147.2 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -113.61 96.33 40.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -7.0 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.465 ' HA ' ' CD ' ' A' ' 10' ' ' LYS . 13.0 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 mttt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 90.3 mt -103.95 144.15 28.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.5 Cg_endo -74.93 144.73 30.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.838 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 22.7 p90 -140.09 163.41 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD23 ' CA ' ' A' ' 111' ' ' PHE . 5.2 mt -110.82 111.22 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.759 HG22 ' HG2' ' A' ' 28' ' ' PRO . 7.4 p -94.93 108.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.0 tt0 -48.71 137.05 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 16' ' ' GLU . 8.8 mt -118.94 166.49 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -67.56 174.25 2.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.955 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -74.99 0.43 8.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.34 -19.14 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.02 41.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.759 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 155.61 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.82 HD21 ' CG ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -128.75 156.86 42.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 25.2 m-85 -148.16 104.45 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 123.27 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD21 HD12 ' A' ' 14' ' ' LEU . 22.8 mt -82.51 75.1 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' LEU . 17.1 mt-30 -56.98 153.27 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.2 mt -39.37 157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER 86.39 162.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.786 HG23 ' OD1' ' A' ' 63' ' ' ASP . 13.4 p -70.91 142.28 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.865 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.2 m -126.46 103.99 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -75.92 128.97 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.709 HG22 ' HB ' ' A' ' 50' ' ' ILE . 48.3 t -103.78 167.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.66 -140.56 11.86 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 52' ' ' LEU . 68.0 p -115.49 -3.48 12.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 155.33 18.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.865 ' HA ' HG23 ' A' ' 38' ' ' THR . 5.6 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.709 ' HB ' HG22 ' A' ' 40' ' ' VAL . 91.4 mt -98.75 145.95 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -135.13 98.93 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.659 ' O ' HG22 ' A' ' 42' ' ' THR . 30.6 mt -104.27 148.49 26.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.31 112.57 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.67 161.03 30.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.42 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.8 4.38 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm -85.23 152.71 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.1 mm-40 -113.9 177.74 1.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.1 Cg_endo -75.03 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -98.45 75.61 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.564 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.6 t60 -64.0 -71.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' THR . 24.0 p -149.09 173.5 13.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.786 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.46 123.52 29.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -93.33 117.24 29.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -113.73 121.02 42.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -91.66 106.71 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.48 105.91 12.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 67.64 23.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.77 -28.55 14.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -75.81 149.89 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.523 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 54.2 t -128.18 146.62 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 94' ' ' MET . 25.6 p -134.95 123.3 23.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.535 HG13 HD13 ' A' ' 89' ' ' ILE . 3.0 p -73.55 125.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 62.5 m -124.78 104.92 30.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.03 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.51 27.98 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.66 122.78 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -80.13 61.4 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.069 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.6 -32.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -59.74 123.35 16.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 65.6 mt-10 -98.38 117.62 33.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -127.18 108.49 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 43.3 m-85 -108.76 119.81 40.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 97.2 t -88.2 91.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.1 t0 81.97 28.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.97 10.79 66.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 2.9 mt-30 -118.94 115.84 25.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.4 ttt180 -70.17 152.68 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.535 HD13 HG13 ' A' ' 73' ' ' VAL . 7.4 pt -114.47 171.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.12 15.22 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 89' ' ' ILE . 5.0 pt-20 179.22 -176.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -57.44 103.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' HG12 ' A' ' 73' ' ' VAL . 5.4 m -111.57 132.05 54.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.649 ' HA ' HG22 ' A' ' 72' ' ' THR . 2.5 ttp -62.08 144.71 54.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' A' ' 73' ' ' VAL . 51.6 mt -110.24 147.48 33.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.421 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 5.6 mt-30 -127.28 151.79 48.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -63.48 128.26 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.7 -28.94 13.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.91 142.84 33.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -90.95 161.18 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.549 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -140.72 106.87 5.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.452 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.1 tt0 -99.83 109.29 21.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 98.3 m-85 -100.73 107.27 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 61.8 37.29 94.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.452 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 7.2 t 36.18 53.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -146.84 -55.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -106.29 110.81 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 17' ' ' LEU . 25.4 t -103.77 132.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.6 m-85 -132.08 164.32 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.603 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -125.75 117.65 23.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CE2' ' HB ' ' A' ' 71' ' ' VAL . 3.3 t80 -79.14 138.13 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.838 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -136.24 154.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.57 102.26 9.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.464 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -7.76 19.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 115' ' ' SER . 7.8 mtmt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 11' ' ' LEU . 16.5 mt -109.17 134.59 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.03 137.45 21.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.652 ' OH ' HG11 ' A' ' 112' ' ' VAL . 49.9 p90 -132.96 166.05 23.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 15.1 mt -118.18 112.0 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 15' ' ' VAL . 7.2 p -92.63 101.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.7 tt0 -42.48 134.41 3.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.6 mt -120.03 164.12 16.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.69 172.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.5 8.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.7 10.13 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.66 44.24 40.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.999 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HD3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.68 139.24 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -120.78 141.89 50.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE2' ' HD3' ' A' ' 29' ' ' LYS . 13.9 m-85 -135.03 95.9 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 126.25 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.673 ' CD2' HD11 ' A' ' 50' ' ' ILE . 39.2 mt -88.74 95.43 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -66.08 -179.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -69.67 160.15 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 86.1 160.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.492 HG22 ' HB2' ' A' ' 63' ' ' ASP . 14.5 p -67.46 125.03 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 49' ' ' SER . 15.7 m -113.95 108.33 16.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.09 123.9 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG22 ' HB ' ' A' ' 50' ' ' ILE . 40.0 t -97.05 150.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.69 -151.51 23.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 52' ' ' LEU . 73.4 p -102.16 -19.08 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 59' ' ' PRO . 6.1 mm-40 -94.16 156.28 16.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.569 ' HA ' HG23 ' A' ' 38' ' ' THR . 2.4 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 33' ' ' LEU . 96.3 mt -70.17 130.45 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 51.0 tt0 -120.07 106.14 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' THR . 12.4 mt -110.97 162.08 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 16.7 m-85 -137.1 120.25 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.72 155.94 27.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 93.69 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.07 -0.62 7.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.28 152.47 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -113.1 175.72 1.75 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.99 -54.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -103.76 77.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.433 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -67.38 -61.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.3 p -165.63 173.31 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.492 ' HB2' HG22 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -121.64 147.02 46.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 40' ' ' VAL . 2.3 mt -121.95 102.91 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -96.6 118.11 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -94.54 106.99 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 mmt -118.45 100.65 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 19.53 10.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -18.58 44.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.71 134.73 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.616 HG12 HD12 ' A' ' 95' ' ' LEU . 25.5 t -131.69 137.67 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.955 HG22 ' HA ' ' A' ' 94' ' ' MET . 13.6 p -135.45 119.89 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.571 HG13 HD13 ' A' ' 89' ' ' ILE . 7.7 p -69.14 130.47 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.517 ' OG1' HG23 ' A' ' 92' ' ' THR . 95.1 m -129.77 104.77 17.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.67 8.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -124.25 29.37 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.88 119.44 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.62 58.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t70 177.36 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -65.89 119.72 11.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.601 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.1 mt-10 -90.11 127.43 36.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.417 HG21 HG21 ' A' ' 73' ' ' VAL . 85.7 m -128.21 101.67 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 87.2 m-85 -105.63 120.4 41.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.543 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 67.6 t -97.94 92.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 18.6 t0 76.83 39.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.66 29.6 57.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.0 mt-30 -140.31 113.38 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -70.08 151.54 45.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.571 HD13 HG13 ' A' ' 73' ' ' VAL . 6.5 pt -119.66 151.65 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -114.82 -15.78 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -143.01 -178.18 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' OG1' ' A' ' 74' ' ' THR . 99.8 m -55.45 107.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.466 ' O ' HG12 ' A' ' 73' ' ' VAL . 13.3 m -108.94 123.28 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.955 ' HA ' HG22 ' A' ' 72' ' ' THR . 5.3 ttm -54.39 144.86 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.616 HD12 HG12 ' A' ' 71' ' ' VAL . 22.2 mt -106.07 154.32 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -138.44 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -74.17 128.12 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' MET . . . 100.28 -35.21 4.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.543 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 2.3 ttt -36.94 144.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -98.98 123.78 43.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -98.69 115.49 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.53 HE21 HG22 ' A' ' 105' ' ' THR . 9.0 tt0 -108.54 107.98 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 85.4 m-85 -109.28 83.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 85.53 31.24 22.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.53 HG22 HE21 ' A' ' 102' ' ' GLN . 7.1 p 37.94 32.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 104' ' ' GLY . 1.4 t -126.4 -43.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 31.8 t -95.69 133.88 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -129.99 164.94 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.447 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -129.61 115.37 17.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.3 t80 -82.66 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.652 HG11 ' OH ' ' A' ' 13' ' ' TYR . 8.9 t -130.52 137.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.39 105.15 53.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -3.82 14.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.813 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.46 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 43.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 72.2 mt -97.99 148.66 34.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.863 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 26.3 p90 -141.02 166.47 24.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' CA ' ' A' ' 111' ' ' PHE . 5.9 mt -111.08 110.28 20.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.676 HG23 HD12 ' A' ' 30' ' ' LEU . 7.0 p -93.92 103.44 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -44.33 128.27 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.56 161.79 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -58.08 175.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -19.21 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.28 36.06 4.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 110.045 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.09 44.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.78 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.1 142.84 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 50.7 m-85 -133.96 100.28 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -71.47 125.91 28.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.27 79.39 9.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' LEU . 52.8 mt-30 -61.43 156.54 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 11.8 mt -39.63 156.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.31 159.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.9 p -67.4 150.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.9 m -135.21 104.77 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 131.47 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 41' ' ' GLY . 13.6 t -107.42 165.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 134.51 -140.47 11.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.753 HG22 ' O ' ' A' ' 52' ' ' LEU . 80.7 p -117.25 -11.12 10.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 157.7 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 tttt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.57 ' HA ' HG23 ' A' ' 38' ' ' THR . 47.2 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -87.36 150.34 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -134.92 98.6 4.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.753 ' O ' HG22 ' A' ' 42' ' ' THR . 84.6 mt -104.69 140.06 38.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -118.31 122.27 42.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.22 155.85 26.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.762 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.39 -7.25 5.0 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.445 HG22 HG23 ' A' ' 42' ' ' THR . 6.4 mm -72.59 147.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -107.67 176.02 1.78 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.94 -55.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.473 ' CD2' ' HB2' ' A' ' 76' ' ' ARG . 8.9 t-160 -101.85 76.44 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.544 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -67.45 -68.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -156.64 177.5 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -128.94 145.32 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mt -118.39 109.21 15.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.5 m -107.9 124.95 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.42 ' HA ' HG22 ' A' ' 71' ' ' VAL . 49.3 t-20 -90.77 111.0 22.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.4 mmt -118.23 102.28 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.34 26.94 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.66 -27.5 19.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.6 t -76.47 145.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 66' ' ' ASN . 54.5 t -130.41 145.03 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 94' ' ' MET . 24.7 p -133.43 119.14 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.815 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.2 p -71.45 124.59 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.8 m -124.9 103.94 30.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.99 121.31 6.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 30.0 mmt180 -116.92 35.28 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.51 144.19 49.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 7.9 ptp -96.15 59.8 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 78' ' ' MET . 11.0 m-20 164.67 -27.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.544 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -59.33 104.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.2 mp0 -83.28 118.13 23.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 97.1 m -125.19 102.15 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 88' ' ' ARG . 33.7 m-85 -101.46 113.34 26.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 70.0 t -85.98 91.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.3 t0 77.46 30.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.91 60.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -123.01 112.65 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HB2' ' CD1' ' A' ' 83' ' ' TYR . 5.1 ttt-85 -74.95 127.6 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.729 HD13 HG13 ' A' ' 73' ' ' VAL . 9.0 pt -91.82 166.51 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 11.69 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 89' ' ' ILE . 3.8 pt-20 179.17 -175.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 72' ' ' THR . 25.7 m -50.2 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.2 m -114.37 120.32 39.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.502 ' HA ' HG22 ' A' ' 72' ' ' THR . 43.9 ttm -56.18 138.35 50.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.815 HD11 ' HB ' ' A' ' 73' ' ' VAL . 67.6 mt -105.7 149.42 26.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -130.85 136.3 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -45.82 131.27 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.49 -36.18 4.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.407 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -52.18 141.97 17.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -90.27 165.11 14.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -143.67 110.75 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.458 ' HB2' HG22 ' A' ' 108' ' ' VAL . 45.0 tt0 -105.21 106.21 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.407 ' O ' HD11 ' A' ' 57' ' ' ILE . 97.0 m-85 -93.12 103.49 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 89.91 -93.72 1.91 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER 177.23 57.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.388 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t -174.04 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -99.33 123.37 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.458 HG22 ' HB2' ' A' ' 102' ' ' GLN . 4.6 t -129.58 118.28 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -113.94 174.17 6.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -133.79 117.74 17.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.7 t80 -79.84 141.68 35.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.863 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -137.89 154.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -135.24 98.73 12.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.472 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.05 -2.21 12.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.956 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 67.3 mt -108.47 142.31 25.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.709 ' OH ' HG11 ' A' ' 112' ' ' VAL . 48.1 p90 -129.11 168.29 16.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 111' ' ' PHE . 17.0 mt -117.12 111.08 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 15' ' ' VAL . 8.0 p -92.19 103.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.9 tt0 -46.03 131.65 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.3 mt -116.94 161.9 18.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -49.34 176.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.02 -4.54 15.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.45 -15.67 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 39.24 3.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 152.07 46.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.48 161.5 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.559 ' CD1' HG23 ' A' ' 50' ' ' ILE . 29.8 m-85 -155.69 97.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 136.01 46.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.835 ' CD2' HD11 ' A' ' 50' ' ' ILE . 20.6 mt -97.11 79.91 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' A' ' 11' ' ' LEU . 8.8 mt-30 -46.81 154.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 16.6 mt -50.3 168.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.65 -146.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 t -103.26 135.54 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.618 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.7 m -129.1 94.61 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.7 130.36 36.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 50' ' ' ILE . 25.0 t -100.48 167.56 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 133.95 -153.6 20.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 52' ' ' LEU . 74.6 p -107.35 18.79 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.42 161.01 19.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.618 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.835 HD11 ' CD2' ' A' ' 33' ' ' LEU . 7.1 mt -107.93 147.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -129.8 98.7 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 42' ' ' THR . 95.5 mt -102.9 154.36 19.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -134.21 118.27 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.99 161.9 32.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.84 -1.55 6.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 18.7 mm -83.6 152.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.522 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -115.7 179.24 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.99 -60.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -102.15 76.74 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.427 ' CD2' ' OG1' ' A' ' 82' ' ' THR . 3.1 t60 -61.3 -72.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.15 158.35 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -98.25 151.72 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 33' ' ' LEU . 6.3 mt -130.22 90.17 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -92.5 121.34 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 61.2 t30 -97.52 116.87 30.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 1.063 ' O ' HG12 ' A' ' 70' ' ' VAL . 40.1 mmm -118.81 95.58 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.39 5.61 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 125.4 -24.37 5.89 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.063 HG12 ' O ' ' A' ' 67' ' ' MET . 13.8 p -73.81 135.69 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.535 HG12 HD12 ' A' ' 95' ' ' LEU . 25.1 t -127.48 138.99 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.667 HG22 ' HA ' ' A' ' 94' ' ' MET . 3.7 p -129.86 123.33 30.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.661 HG13 HD13 ' A' ' 89' ' ' ILE . 3.0 p -82.13 120.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.6 m -120.34 106.14 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.87 3.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -86.39 -16.78 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -128.82 136.77 50.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 ttt -71.32 -41.67 69.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.92 -40.66 66.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 97.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -73.36 112.83 9.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.427 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 23.0 m -121.2 108.72 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 55.7 m-85 -113.91 121.04 42.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 59.5 t -97.76 91.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.6 t0 82.4 38.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.98 17.48 80.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -126.85 117.59 22.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.1 ttt180 -72.44 153.61 41.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.661 HD13 HG13 ' A' ' 73' ' ' VAL . 7.7 pt -120.81 152.37 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -18.2 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -142.56 -175.94 4.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.234 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.424 ' CG2' ' HB ' ' A' ' 72' ' ' THR . 20.0 m -55.8 108.87 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 73' ' ' VAL . 9.4 m -112.64 123.26 49.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.667 ' HA ' HG22 ' A' ' 72' ' ' THR . 10.1 ttp -61.29 140.02 58.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 73' ' ' VAL . 69.2 mt -104.87 149.35 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -131.34 169.04 16.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -73.19 130.29 39.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.39 -26.26 25.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.465 ' CE ' HG11 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -59.47 142.5 52.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -88.8 157.53 18.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -133.85 119.59 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -116.54 106.44 13.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' A' ' 101' ' ' LEU . 15.0 m-85 -98.6 85.86 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 109.57 -96.57 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 177.28 57.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 110.409 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 t -175.82 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -99.77 119.8 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 24.1 t -120.44 136.75 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 41.6 m-85 -130.43 174.85 9.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HE3' ' CG2' ' A' ' 112' ' ' VAL . 9.4 tttt -139.61 115.76 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.7 t80 -79.85 136.57 36.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.709 HG11 ' OH ' ' A' ' 13' ' ' TYR . 15.5 t -134.22 151.57 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.32 104.1 43.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -129.01 154.55 80.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -75.0 134.62 18.03 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CD2' HD21 ' A' ' 30' ' ' LEU . 48.2 p90 -128.8 166.42 19.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.806 HD12 HD21 ' A' ' 33' ' ' LEU . 35.6 mt -117.53 110.05 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 15' ' ' VAL . 7.3 p -93.05 106.91 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' ' 17' ' ' LEU . 21.7 tt0 -47.84 135.53 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 16' ' ' GLU . 12.0 mt -118.76 163.86 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -55.45 175.08 0.21 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.5 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.02 -14.17 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 38.01 6.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.7 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -68.46 154.19 42.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.601 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -121.46 128.48 52.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.68 ' CD2' HG23 ' A' ' 50' ' ' ILE . 2.9 m-30 -113.54 77.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 4.0 mmt180 -52.39 128.92 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.806 HD21 HD12 ' A' ' 14' ' ' LEU . 18.9 mt -93.0 67.95 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.681 ' HA ' HD22 ' A' ' 11' ' ' LEU . 10.3 mt-30 -35.67 147.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 34' ' ' GLN . 6.4 mt -44.47 169.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 36.2 t 66.95 -178.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.22 147.69 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 46.9 m -137.06 105.92 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -70.07 140.76 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG22 HD12 ' A' ' 50' ' ' ILE . 43.5 t -123.84 153.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 137.73 -146.95 18.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 52' ' ' LEU . 57.7 p -110.54 14.59 22.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.54 156.12 23.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.68 HG23 ' CD2' ' A' ' 31' ' ' TYR . 80.1 mt -94.55 143.88 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -135.08 99.37 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.639 ' O ' HG22 ' A' ' 42' ' ' THR . 57.4 mt -99.7 151.53 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -136.03 114.14 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.9 160.81 31.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 96.94 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.08 3.62 8.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.6 mm -82.61 152.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.512 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.61 178.81 0.89 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -59.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -102.76 77.54 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.5 t60 -63.53 -68.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.41 ' SG ' HG23 ' A' ' 73' ' ' VAL . 19.6 p -154.83 178.83 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -134.87 121.49 20.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.477 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -86.31 108.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.5 m -95.0 105.38 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 43.4 t-20 -90.05 110.92 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 1.028 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -114.7 96.25 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.16 7.5 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.28 -26.99 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.028 HG12 ' O ' ' A' ' 67' ' ' MET . 14.0 p -73.14 126.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.523 HG12 HD12 ' A' ' 95' ' ' LEU . 16.0 t -113.91 138.03 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 94' ' ' MET . 51.8 p -131.66 119.66 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.828 HG13 HD13 ' A' ' 89' ' ' ILE . 6.4 p -74.11 117.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.585 ' OG1' HG23 ' A' ' 92' ' ' THR . 44.1 m -115.8 104.33 52.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.449 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.0 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -116.73 35.15 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.48 149.62 52.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 8.7 ptp -98.5 59.82 1.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' MET . 4.3 m-20 162.34 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.569 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -60.62 103.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 3.8 mp0 -84.35 124.63 31.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.735 HG21 HG21 ' A' ' 73' ' ' VAL . 4.1 m -127.94 101.79 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 57.7 m-85 -101.55 115.45 30.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.474 HG12 ' SD ' ' A' ' 99' ' ' MET . 63.1 t -87.88 91.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 22.3 t0 78.27 30.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.37 30.15 22.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 4.7 mt-30 -141.13 110.86 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -68.92 144.39 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.828 HD13 HG13 ' A' ' 73' ' ' VAL . 6.4 pt -110.32 156.94 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.1 p -113.99 -21.92 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -142.91 -175.27 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.585 HG23 ' OG1' ' A' ' 74' ' ' THR . 28.4 m -53.85 108.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 m -113.85 122.06 45.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.649 ' HA ' HG22 ' A' ' 72' ' ' THR . 50.9 ttm -59.35 141.08 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.523 HD12 HG12 ' A' ' 71' ' ' VAL . 76.7 mt -104.26 142.71 34.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 p -57.95 127.52 32.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.84 -36.62 4.24 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.474 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.98 147.58 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.02 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -90.23 165.0 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -135.42 114.62 12.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 8.5 tt0 -113.82 111.64 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 92.0 m-85 -111.82 84.91 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.41 31.09 12.08 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.426 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 13.0 p 38.83 33.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 m -122.39 -58.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -104.44 122.23 45.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 17' ' ' LEU . 45.4 t -108.74 139.36 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' LEU . 24.1 m-85 -139.34 160.73 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.16 118.36 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 4.5 t80 -85.16 133.92 34.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' HD3' ' A' ' 110' ' ' LYS . 25.0 t -135.11 144.08 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -111.98 103.41 55.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -22.42 14.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.776 HD13 ' HA ' ' A' ' 34' ' ' GLN . 74.8 mt -107.9 148.25 37.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.839 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 47.5 p90 -137.83 168.03 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 101' ' ' LEU . 2.9 mt -117.22 118.28 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.62 HG23 HD23 ' A' ' 30' ' ' LEU . 9.3 p -102.62 108.03 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.9 tt0 -47.5 135.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.4 mt -116.15 163.81 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.29 172.06 0.36 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -110.9 -16.15 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.7 32.67 7.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -67.51 154.81 40.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.745 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.98 154.34 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.519 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 25.4 m-85 -150.15 106.34 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 123.49 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.66 78.93 9.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.776 ' HA ' HD13 ' A' ' 11' ' ' LEU . 28.6 mt-30 -60.09 159.39 9.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' SER . 9.0 mt -41.26 156.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.78 161.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.7 p -68.34 145.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 m -125.41 104.49 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 40.2 mp0 -77.11 121.93 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' HB ' ' A' ' 50' ' ' ILE . 90.3 t -101.31 153.61 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.73 -148.39 20.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 52' ' ' LEU . 66.8 p -110.34 -13.24 14.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 162.07 27.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' A' ' 40' ' ' VAL . 85.6 mt -82.12 127.0 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -116.57 98.76 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.878 ' O ' HG22 ' A' ' 42' ' ' THR . 74.4 mt -97.92 143.98 27.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 10.5 m-85 -133.64 113.83 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.39 163.72 32.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.15 2.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.11 42.32 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.469 HG22 HG23 ' A' ' 42' ' ' THR . 1.6 mm -119.75 152.58 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 2.6 mm-40 -113.38 177.58 1.15 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -74.99 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 76' ' ' ARG . 2.2 t-160 -101.68 76.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.597 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 4.4 t60 -64.71 -70.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 74' ' ' THR . 17.1 p -154.73 174.82 14.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -124.46 152.44 43.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mt -124.81 102.46 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 79.0 m -99.69 120.98 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.521 ' HA ' HG22 ' A' ' 71' ' ' VAL . 63.6 t30 -92.96 106.85 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -119.09 107.71 13.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.98 20.51 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.66 -27.3 21.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.71 141.86 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 66' ' ' ASN . 49.3 t -129.38 146.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.5 p -134.95 119.59 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.852 ' HB ' HD11 ' A' ' 95' ' ' LEU . 6.6 p -71.48 126.74 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 52.5 m -128.0 108.04 20.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.22 7.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 17.8 mmm180 -88.34 -16.11 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.4 m -132.79 135.97 46.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -41.48 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -33.9 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.597 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -68.18 99.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.1 mp0 -71.49 116.76 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.6 m -127.19 108.66 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 35.5 m-85 -113.59 120.1 39.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.496 HG12 ' SD ' ' A' ' 99' ' ' MET . 93.9 t -95.12 91.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.9 OUTLIER 80.57 38.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.14 12.96 83.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.3 mt-30 -120.99 118.21 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.552 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.7 ttt180 -74.54 152.92 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.498 HD13 HG13 ' A' ' 73' ' ' VAL . 12.7 pt -117.13 174.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.99 18.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.04 -174.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.528 HG22 ' HB ' ' A' ' 72' ' ' THR . 30.7 m -53.72 104.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -113.56 123.4 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.676 ' HA ' HG22 ' A' ' 72' ' ' THR . 44.9 ttm -53.64 144.19 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.852 HD11 ' HB ' ' A' ' 73' ' ' VAL . 82.7 mt -116.23 142.4 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -124.18 137.27 54.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -45.75 128.79 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 -40.35 2.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.496 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -43.82 143.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -90.09 164.95 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -145.85 108.89 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.416 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 19.9 tt0 -98.27 115.88 29.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 97.9 m-85 -110.01 102.73 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.59 36.62 48.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.594 ' O ' HG23 ' A' ' 105' ' ' THR . 10.0 t 35.88 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.5 t -149.24 -46.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.425 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 30.3 m-70 -100.32 105.05 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.52 129.7 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -129.77 168.44 16.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.618 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -128.6 116.27 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.8 t80 -79.62 137.96 37.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.839 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.89 156.65 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -136.79 95.61 12.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.521 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 34' ' ' GLN . 21.9 mt -100.72 154.39 37.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.96 141.63 27.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.875 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 42.7 p90 -138.71 166.66 23.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' CA ' ' A' ' 111' ' ' PHE . 2.7 mt -116.5 123.02 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.9 p -107.47 102.21 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.6 tt0 -38.75 137.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.2 mt -118.12 167.49 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.0 171.25 5.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.47 11.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 2.01 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 45.01 11.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.31 155.55 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.74 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.85 146.1 51.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.514 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 35.8 m-85 -140.37 102.76 4.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -73.04 135.88 44.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 64' ' ' LEU . 39.1 mt -97.41 80.53 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.6 ' HA ' HD13 ' A' ' 11' ' ' LEU . 32.6 mt-30 -64.65 155.85 32.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.1 mt -50.66 110.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 156.35 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.665 HG12 ' OE2' ' A' ' 39' ' ' GLU . 2.1 t -100.57 109.57 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.62 HG23 ' HA ' ' A' ' 49' ' ' SER . 19.3 m -104.55 108.26 19.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.665 ' OE2' HG12 ' A' ' 37' ' ' VAL . 1.4 mp0 -86.35 126.75 34.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG22 ' HB ' ' A' ' 50' ' ' ILE . 59.4 t -98.06 147.09 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.29 -139.04 8.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 52' ' ' LEU . 81.0 p -117.69 18.93 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -118.39 170.46 8.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.62 ' HA ' HG23 ' A' ' 38' ' ' THR . 36.6 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.547 ' HB ' HG22 ' A' ' 40' ' ' VAL . 96.4 mt -100.18 117.29 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.486 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 39.0 tt0 -118.22 102.24 8.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 42' ' ' THR . 9.4 mt -108.6 165.82 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 22.6 m-85 -139.91 122.29 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.57 159.49 30.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 94.03 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 125.78 0.37 7.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.56 1.163 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 16.4 mm -81.07 152.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -115.11 178.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.01 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.433 ' NE2' ' OD2' ' A' ' 63' ' ' ASP . 7.1 t-160 -100.43 76.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.648 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.54 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.5 t60 -63.12 -62.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.95 168.97 18.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' NE2' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -117.86 137.86 52.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.519 ' HB3' HD13 ' A' ' 33' ' ' LEU . 4.9 mt -113.27 91.89 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.513 ' O ' ' CE ' ' A' ' 67' ' ' MET . 79.7 m -92.95 132.5 37.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' ND2' HD23 ' A' ' 35' ' ' LEU . 38.1 t-20 -103.1 110.69 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.85 103.12 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.5 m-20 60.84 48.91 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.05 76.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 68' ' ' ASP . 21.8 t -127.67 129.64 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.243 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.477 HG12 HD12 ' A' ' 95' ' ' LEU . 42.0 t -122.37 140.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.92 HG22 ' HA ' ' A' ' 94' ' ' MET . 5.7 p -137.99 118.76 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.685 ' HB ' HD11 ' A' ' 95' ' ' LEU . 7.2 p -68.29 122.98 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.517 ' OG1' HG23 ' A' ' 92' ' ' THR . 53.7 m -124.74 106.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -125.23 22.8 7.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.9 118.5 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.5 64.36 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 174.19 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -64.51 112.69 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mt-10 -85.15 120.19 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.54 HG21 HG21 ' A' ' 73' ' ' VAL . 92.2 m -121.67 109.89 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 79.7 m-85 -114.0 117.63 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.547 HG12 ' SD ' ' A' ' 99' ' ' MET . 98.2 t -92.61 91.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.5 t0 79.58 35.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.43 12.31 80.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.5 116.5 25.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.3 ttt180 -71.88 152.6 42.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.651 HD13 HG13 ' A' ' 73' ' ' VAL . 6.7 pt -114.13 170.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 m -139.36 13.28 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 89' ' ' ILE . 3.8 pt-20 176.74 -174.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' OG1' ' A' ' 74' ' ' THR . 17.3 m -54.29 101.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.5 m -110.26 118.92 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.92 ' HA ' HG22 ' A' ' 72' ' ' THR . 30.7 ttm -52.93 141.9 20.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.685 HD11 ' HB ' ' A' ' 73' ' ' VAL . 74.4 mt -109.36 146.46 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -125.25 144.95 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -54.34 127.91 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.51 -42.21 1.98 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.547 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -42.96 148.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -88.98 160.0 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -132.59 114.4 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.232 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -107.13 123.16 47.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.726 ' CE1' HD12 ' A' ' 101' ' ' LEU . 18.4 m-85 -118.89 78.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.69 34.6 11.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p 38.92 50.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -146.24 -49.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -108.83 97.7 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 40.8 t -93.43 132.62 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -132.16 173.72 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.617 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -131.78 115.5 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.1 t80 -80.54 142.23 34.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.875 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 1.1 m -134.94 157.65 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -136.23 93.02 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.528 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -10.82 21.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 27.5 mt -118.28 137.16 24.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.541 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.2 Cg_endo -74.98 140.14 25.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.92 ' C ' HD13 ' A' ' 14' ' ' LEU . 49.1 p90 -143.5 165.15 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.92 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -113.03 130.11 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG23 HD23 ' A' ' 30' ' ' LEU . 9.2 p -110.49 119.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 17' ' ' LEU . 14.9 tt0 -50.74 129.36 22.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 110' ' ' LYS . 10.6 mt -117.98 162.53 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 170.46 0.48 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -113.17 -15.88 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.97 47.26 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 110.002 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -66.94 152.43 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.383 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.22 150.49 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 74.3 m-85 -143.77 111.47 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 141.59 28.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD13 ' HB3' ' A' ' 64' ' ' LEU . 68.0 mt -99.22 81.27 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.85 157.96 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.3 mt -42.73 163.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.31 -149.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.762 HG22 ' OG1' ' A' ' 65' ' ' THR . 61.7 t -112.82 156.83 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.643 HG23 ' HA ' ' A' ' 49' ' ' SER . 15.3 m -138.64 99.29 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 28.5 mp0 -77.49 118.34 19.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 41' ' ' GLY . 23.8 t -97.29 162.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 136.09 -129.72 5.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 52' ' ' LEU . 71.1 p -125.42 6.06 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.66 149.99 33.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.643 ' HA ' HG23 ' A' ' 38' ' ' THR . 63.2 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.624 HG22 ' CD2' ' A' ' 52' ' ' LEU . 30.5 mt -88.03 126.32 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.504 ' C ' HD13 ' A' ' 52' ' ' LEU . 53.0 tt0 -119.87 99.31 6.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.624 ' CD2' HG22 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -102.64 170.85 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 51' ' ' GLN . 9.7 m-85 -146.06 115.45 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.75 164.47 34.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.575 1.172 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.433 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 109.15 19.23 8.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -102.54 152.41 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.531 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.6 mm-40 -118.6 179.97 0.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.531 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.5 Cg_endo -75.03 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 6.5 t-160 -101.29 75.32 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 4.9 t60 -60.25 -69.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.4 p -153.56 167.79 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -114.67 140.02 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.733 ' HB3' HD13 ' A' ' 33' ' ' LEU . 6.0 mt -117.27 90.82 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.762 ' OG1' HG22 ' A' ' 37' ' ' VAL . 31.4 m -94.66 150.19 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -117.95 106.08 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 65' ' ' THR . 66.2 mmm -119.39 97.49 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 70' ' ' VAL . 5.5 t70 67.56 54.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.34 20.33 50.35 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 68' ' ' ASP . 21.2 t -115.84 138.14 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.541 HG21 ' HG2' ' A' ' 12' ' ' PRO . 66.9 t -135.74 137.17 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.818 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.5 p -137.33 119.21 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.684 HG13 HD13 ' A' ' 89' ' ' ILE . 2.6 p -67.1 117.03 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.451 ' OG1' HG23 ' A' ' 92' ' ' THR . 50.4 m -116.76 107.2 46.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.21 -22.28 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 m -126.93 132.43 50.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtt -68.51 -35.07 76.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.33 -37.62 81.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -67.45 98.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.3 mp0 -66.73 119.54 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -127.08 104.59 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 42.1 m-85 -106.67 115.85 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.619 HG21 HG11 ' A' ' 73' ' ' VAL . 50.1 t -94.56 91.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.0 t70 80.58 35.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.54 26.33 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 5.0 mt-30 -136.96 116.4 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 4.9 ttt-85 -71.32 133.27 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.684 HD13 HG13 ' A' ' 73' ' ' VAL . 10.6 pt -101.37 153.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -114.24 -18.92 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -143.26 -176.24 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' OG1' ' A' ' 74' ' ' THR . 78.6 m -54.4 105.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.0 m -108.08 133.94 51.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.818 ' HA ' HG22 ' A' ' 72' ' ' THR . 33.4 ttm -67.41 150.92 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 101' ' ' LEU . 38.8 mt -109.87 135.42 50.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -123.9 139.82 53.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 111' ' ' PHE . 4.7 p -45.76 128.54 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.27 -40.37 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.618 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -44.86 143.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -97.56 134.17 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.623 HD23 ' HE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -109.32 107.14 17.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -106.92 122.13 45.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.623 ' HE1' HD23 ' A' ' 101' ' ' LEU . 3.6 m-30 -109.65 84.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.422 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 104.92 -92.24 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 176.94 57.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 110.381 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.1 p -170.38 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -100.2 112.41 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -124.8 118.88 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.522 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 53.8 m-85 -119.29 158.64 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.1 tttt -111.98 117.32 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.484 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.4 t80 -77.99 126.64 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.492 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 24.2 t -130.04 146.08 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.75 101.84 50.51 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.515 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -3.9 14.6 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 31.0 mt -105.44 152.56 39.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.05 140.86 25.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.869 ' CE1' HG11 ' A' ' 112' ' ' VAL . 49.4 p90 -139.6 166.91 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.695 HD23 ' HA ' ' A' ' 111' ' ' PHE . 5.1 mt -114.81 116.38 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.607 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.3 p -101.03 105.71 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 12.7 tt0 -42.04 133.1 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.4 mt -110.33 162.67 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 171.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.22 -12.64 12.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.27 38.32 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.065 -0.398 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CD ' ' OH ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -67.4 152.3 45.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.72 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.35 154.6 48.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' OH ' ' CD ' ' A' ' 29' ' ' LYS . 40.6 m-85 -152.97 104.44 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -73.14 134.44 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.31 77.82 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.39 153.7 43.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.9 mt -45.88 109.14 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER 159.55 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 p -108.16 111.75 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.956 HG23 ' HA ' ' A' ' 49' ' ' SER . 17.7 m -99.8 101.63 12.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.01 111.02 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG13 HD21 ' A' ' 52' ' ' LEU . 58.9 t -89.36 148.31 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.67 -139.05 7.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.525 HG23 HG22 ' A' ' 57' ' ' ILE . 61.6 p -122.11 1.51 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -111.28 159.61 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.956 ' HA ' HG23 ' A' ' 38' ' ' THR . 9.0 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.587 HG22 HD21 ' A' ' 52' ' ' LEU . 83.3 mt -91.45 135.26 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.574 ' C ' HD13 ' A' ' 52' ' ' LEU . 4.4 tt0 -128.67 104.09 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -105.85 168.96 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.92 113.2 7.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.38 160.78 30.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 99.51 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 121.4 6.05 9.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 42' ' ' THR . 14.4 mm -88.36 152.43 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.509 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -115.88 179.08 0.84 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.01 -59.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -100.66 76.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.6 t60 -62.55 -70.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.9 p -153.07 176.31 12.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -128.84 123.1 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 14' ' ' LEU . 9.2 mt -94.5 99.75 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.505 ' O ' ' CE ' ' A' ' 67' ' ' MET . 92.0 m -101.44 133.32 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.434 ' CG ' ' CD2' ' A' ' 35' ' ' LEU . 39.4 t-20 -103.65 110.92 23.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.63 99.84 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.928 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.5 m-20 60.54 61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.94 27.64 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 68' ' ' ASP . 4.7 t -127.35 131.03 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.549 HG12 HD12 ' A' ' 95' ' ' LEU . 40.7 t -123.23 139.41 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.745 HG22 ' HA ' ' A' ' 94' ' ' MET . 16.8 p -137.58 118.86 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.711 HG13 HD13 ' A' ' 89' ' ' ILE . 5.4 p -69.57 121.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.594 ' OG1' HG23 ' A' ' 92' ' ' THR . 8.9 m -122.08 107.01 35.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -116.81 25.08 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.36 120.45 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.42 62.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t0 172.15 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.71 111.5 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 12.0 mt-10 -87.64 123.14 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.468 HG21 HG21 ' A' ' 73' ' ' VAL . 43.7 m -122.7 100.69 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 71.6 m-85 -99.59 113.21 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 55.6 t -87.95 92.08 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.8 t0 80.16 25.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.98 22.92 29.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.18 110.7 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -69.56 143.11 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.711 HD13 HG13 ' A' ' 73' ' ' VAL . 22.8 pt -105.06 174.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -140.96 14.29 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER 175.71 -175.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.594 HG23 ' OG1' ' A' ' 74' ' ' THR . 9.1 m -52.74 104.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.451 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.8 m -115.94 122.31 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.745 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.9 150.56 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 71' ' ' VAL . 68.0 mt -117.43 147.99 42.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -127.73 145.82 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -56.21 129.52 40.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.04 -36.4 4.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -47.42 139.58 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 2.0 mtm105 -88.9 140.1 29.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.787 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -112.54 114.75 27.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 105' ' ' THR . 36.5 tt0 -119.31 118.13 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.787 ' CE1' HD12 ' A' ' 101' ' ' LEU . 11.4 m-85 -112.75 101.3 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 70.52 34.0 67.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.414 ' HB ' ' NE2' ' A' ' 102' ' ' GLN . 1.9 t 38.75 51.22 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.2 t -137.3 -56.13 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -108.34 106.5 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 33.7 t -97.49 132.77 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 28.4 m-85 -132.5 177.54 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HE3' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -138.31 112.65 8.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.695 ' HA ' HD23 ' A' ' 14' ' ' LEU . 2.0 t80 -78.32 142.43 37.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.869 HG11 ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -135.24 156.34 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -134.95 93.12 17.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.519 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 114' ' ' PRO . 11.6 mt -103.94 135.81 19.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.02 140.73 25.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.829 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 17.5 p90 -134.84 165.13 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD12 HD21 ' A' ' 33' ' ' LEU . 4.7 mt -114.25 108.47 16.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.65 HG12 ' HE2' ' A' ' 110' ' ' LYS . 8.0 p -92.41 113.65 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -51.89 128.53 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.19 164.08 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -59.07 173.99 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.93 0.98 8.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -123.08 21.85 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.86 47.61 87.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.988 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.56 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 155.56 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.797 HD21 ' CG ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -126.98 125.94 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE2' ' CE2' ' A' ' 109' ' ' PHE . 13.8 m-30 -112.59 103.3 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HA ' ' HB3' ' A' ' 13' ' ' TYR . 4.3 mtt180 -73.53 138.47 45.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.577 ' CD2' HD11 ' A' ' 50' ' ' ILE . 22.2 mt -103.87 102.56 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.94 176.7 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.41 160.13 25.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p 87.53 -144.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.731 HG23 ' OD1' ' A' ' 63' ' ' ASP . 1.4 p -113.0 151.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 49' ' ' SER . 23.1 m -133.83 100.91 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.446 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.51 128.55 35.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.636 HG22 ' HB ' ' A' ' 50' ' ' ILE . 36.5 t -105.57 168.73 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.523 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 132.22 -149.26 19.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 52' ' ' LEU . 69.3 p -105.92 -14.16 15.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.408 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.56 157.21 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.473 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.636 ' HB ' HG22 ' A' ' 40' ' ' VAL . 64.5 mt -91.81 124.48 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -113.15 113.66 25.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.754 ' O ' HG22 ' A' ' 42' ' ' THR . 69.7 mt -113.62 151.86 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.447 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 38.2 m-85 -134.36 120.22 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.93 160.42 32.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.01 4.04 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -89.99 152.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.49 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -114.98 177.57 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -106.12 77.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.579 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.9 t60 -65.17 -68.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.8 p -156.71 170.99 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.731 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -126.57 126.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.454 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -91.08 115.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 36' ' ' SER . 5.3 m -103.47 102.26 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' HA ' HG22 ' A' ' 71' ' ' VAL . 64.8 t30 -85.84 106.17 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -119.42 119.12 33.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.49 17.97 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.31 -29.05 11.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.2 t -74.51 140.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 56.1 t -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 94' ' ' MET . 5.8 p -137.84 120.05 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 93' ' ' THR . 3.1 p -71.3 125.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.7 m -124.69 102.63 32.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.455 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.0 122.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -123.83 33.85 5.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.97 140.74 47.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.439 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.7 ptp -91.85 61.34 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 78' ' ' MET . 2.4 m-20 163.25 -28.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.579 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -59.84 108.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.2 mp0 -86.47 125.3 33.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 73' ' ' VAL . 91.2 m -127.59 105.23 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 76.1 m-85 -108.52 117.21 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 92.3 t -87.67 92.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' VAL . 1.7 m-20 65.37 44.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.66 28.66 56.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -136.37 105.9 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -68.49 151.01 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.631 HD13 HG13 ' A' ' 73' ' ' VAL . 6.2 pt -115.41 158.23 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -130.99 7.56 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.21 -178.67 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.497 HG22 ' HB ' ' A' ' 72' ' ' THR . 6.7 m -50.06 103.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.638 ' O ' HG12 ' A' ' 73' ' ' VAL . 8.0 m -114.48 125.65 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.56 ' HA ' HG22 ' A' ' 72' ' ' THR . 5.1 ttp -62.55 145.43 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.611 HD11 ' HB ' ' A' ' 73' ' ' VAL . 78.4 mt -111.86 146.13 38.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.75 142.21 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -53.49 128.94 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.75 -17.71 48.9 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.463 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -71.47 143.44 50.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.6 mtm-85 -89.25 163.03 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -141.73 107.06 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 108' ' ' VAL . 24.8 tt0 -100.13 106.11 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.539 ' CZ ' HD22 ' A' ' 101' ' ' LEU . 96.9 m-85 -96.45 88.13 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.447 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 103.18 -93.74 1.05 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.447 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 176.13 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -177.21 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 50.2 m-70 -103.06 112.63 25.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 102' ' ' GLN . 9.6 t -121.95 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.469 ' CE2' ' CE2' ' A' ' 31' ' ' TYR . 9.3 m-85 -122.59 169.21 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.65 ' HE2' HG12 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -127.41 117.53 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 5.5 t80 -79.47 140.38 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.829 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -139.78 153.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -136.65 102.98 9.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.437 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -3.17 13.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 91.0 mt -102.52 144.56 28.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.02 144.52 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 31.9 p90 -141.52 170.59 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.609 ' CD2' HD13 ' A' ' 101' ' ' LEU . 3.1 mt -115.52 119.8 37.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.675 HG12 ' HD2' ' A' ' 110' ' ' LYS . 8.5 p -102.53 101.91 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 24.8 tt0 -40.24 136.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.1 mt -118.72 165.73 13.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.406 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -61.47 173.33 0.79 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.34 -18.38 13.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.95 5.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.5 p . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.005 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 153.32 43.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.736 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.23 149.5 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 43.5 m-85 -144.99 114.97 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -82.14 117.1 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.7 mt -77.16 80.06 3.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.59 152.48 26.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.0 mt -43.53 164.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.6 m 87.38 -150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 63' ' ' ASP . 21.4 t -111.02 146.31 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.529 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.2 m -132.85 106.68 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -78.47 134.6 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.611 ' CG2' HD22 ' A' ' 64' ' ' LEU . 23.7 t -112.89 162.27 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 130.06 -138.23 10.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 52' ' ' LEU . 68.6 p -115.67 10.86 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.92 167.93 10.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.529 ' HA ' HG23 ' A' ' 38' ' ' THR . 90.7 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' HB ' HG22 ' A' ' 40' ' ' VAL . 50.0 mt -85.2 129.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.24 103.45 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' THR . 27.3 mt -104.23 164.86 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 22.5 m-85 -143.17 117.7 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.21 157.98 28.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 134.28 -9.71 4.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 103' ' ' PHE . 12.9 mm -72.25 152.48 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.483 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -112.4 177.14 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.459 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 10.9 t-160 -98.66 75.53 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.598 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.2 t60 -64.7 -71.96 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.8 p -148.72 175.43 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.266 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 1.4 m-20 -132.81 116.78 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.611 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -84.78 121.25 27.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.4 m -121.79 116.68 24.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.452 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -85.23 106.44 16.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.415 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 85.4 mmm -118.97 98.3 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.768 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.29 76.94 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.85 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 68' ' ' ASP . 73.4 t -136.61 147.54 27.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.482 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 64.6 t -129.91 147.14 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.791 HG22 ' HA ' ' A' ' 94' ' ' MET . 18.1 p -138.01 120.01 15.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.775 HG13 HD13 ' A' ' 89' ' ' ILE . 3.7 p -74.75 114.33 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.693 ' OG1' HG23 ' A' ' 92' ' ' THR . 91.6 m -113.89 104.49 55.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -124.37 28.35 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.13 131.18 48.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.7 60.24 6.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.01 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.598 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.19 107.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 9.7 mp0 -84.1 121.34 27.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 115.82 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 39.4 m-85 -116.49 118.9 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 71.5 t -90.24 91.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.5 t0 79.05 30.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.55 22.67 46.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -128.57 111.03 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 110.352 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' HB2' ' CE2' ' A' ' 83' ' ' TYR . 9.0 ttt-85 -71.68 131.43 43.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.775 HD13 HG13 ' A' ' 73' ' ' VAL . 9.2 pt -101.55 152.9 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.238 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.02 -17.14 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -142.93 -177.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.693 HG23 ' OG1' ' A' ' 74' ' ' THR . 91.8 m -54.12 105.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.416 ' HB ' HD13 ' A' ' 89' ' ' ILE . 20.4 m -110.35 134.88 51.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.791 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -65.56 150.98 47.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.739 HD11 ' HB ' ' A' ' 73' ' ' VAL . 81.0 mt -118.17 141.14 48.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -125.97 144.3 50.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 p -52.22 130.17 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.51 -31.96 8.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.63 142.81 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.747 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -90.12 163.97 14.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.609 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -144.25 106.73 4.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.482 ' OE1' HG22 ' A' ' 105' ' ' THR . 0.7 OUTLIER -95.73 119.8 34.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.604 ' O ' HD11 ' A' ' 57' ' ' ILE . 97.2 m-85 -113.6 93.24 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 78.8 36.26 29.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.482 HG22 ' OE1' ' A' ' 102' ' ' GLN . 16.3 p 37.11 42.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -144.78 -46.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.409 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 62.5 m-70 -106.86 98.99 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.612 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.39 123.51 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 6.7 m-85 -120.83 172.87 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.675 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -130.89 117.92 19.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CA ' HD23 ' A' ' 14' ' ' LEU . 2.7 t80 -78.92 135.78 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.847 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.31 155.12 41.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.19 101.62 9.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -0.99 10.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 41.9 mt -105.24 151.1 39.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.97 141.39 26.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.807 ' CE2' HG11 ' A' ' 112' ' ' VAL . 49.4 p90 -139.54 168.31 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 111' ' ' PHE . 8.2 mt -118.78 121.39 39.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 28' ' ' PRO . 10.0 p -106.39 105.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 5.9 tt0 -41.77 132.49 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.454 ' HB2' HG12 ' A' ' 108' ' ' VAL . 8.1 mt -112.86 161.71 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.423 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.36 173.79 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -74.99 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.48 -5.35 15.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.33 36.88 19.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.031 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.94 154.79 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.696 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.94 149.99 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 40.2 m-85 -146.69 105.83 3.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.09 124.75 27.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -87.96 75.77 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' A' ' 11' ' ' LEU . 64.2 mt-30 -63.11 163.53 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -43.82 165.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 87.27 -155.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.1 p -117.62 143.76 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.632 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.9 m -123.35 103.39 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -75.12 119.07 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG22 ' HB ' ' A' ' 50' ' ' ILE . 92.6 t -95.18 168.05 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.552 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.33 -145.86 17.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 52' ' ' LEU . 33.0 p -112.43 -10.92 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.59 150.71 26.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 tptm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.632 ' HA ' HG23 ' A' ' 38' ' ' THR . 41.2 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.652 ' HB ' HG22 ' A' ' 40' ' ' VAL . 51.9 mt -87.25 119.28 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' C ' HD13 ' A' ' 52' ' ' LEU . 7.3 tt0 -114.52 98.51 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 42' ' ' THR . 0.4 OUTLIER -97.9 167.47 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -146.95 112.35 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.65 160.7 30.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.15 3.42 8.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -84.15 152.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.484 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -114.5 177.46 1.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -60.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 12.2 t-160 -99.4 75.94 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.55 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -64.42 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.414 ' HG ' ' HE1' ' A' ' 103' ' ' PHE . 18.9 p -148.09 176.34 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.262 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 2.4 m-20 -136.2 122.4 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.515 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -91.54 116.53 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.441 ' OG1' HG23 ' A' ' 37' ' ' VAL . 68.9 m -116.42 118.75 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -84.88 106.67 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.08 97.88 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 70' ' ' VAL . 3.9 m-20 70.0 59.65 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.25 20.08 9.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 68' ' ' ASP . 74.9 t -125.11 146.47 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 53.5 t -127.39 143.45 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.819 HG22 ' HA ' ' A' ' 94' ' ' MET . 17.6 p -136.77 120.16 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.605 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.5 p -69.71 124.37 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -124.11 105.46 31.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.11 8.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.4 mmm180 -120.73 19.99 11.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.1 122.24 35.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -79.53 62.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.7 m-20 171.41 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.55 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -61.34 121.51 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 15.7 mt-10 -91.1 122.02 33.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.5 HG23 ' CE1' ' A' ' 103' ' ' PHE . 91.5 m -128.17 102.89 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 36.1 m-85 -107.19 118.88 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 60.7 t -92.94 92.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.6 t70 83.51 29.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.16 23.01 53.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -133.11 112.45 11.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.19 151.84 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 73' ' ' VAL . 27.0 pt -112.96 174.51 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -141.81 17.81 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER 175.53 -174.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.0 m -57.65 102.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.8 m -110.16 129.21 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.819 ' HA ' HG22 ' A' ' 72' ' ' THR . 42.6 ttm -58.37 149.78 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.605 HD11 ' HB ' ' A' ' 73' ' ' VAL . 62.6 mt -117.67 141.39 48.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.06 158.63 25.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 p -70.46 120.16 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.01 -31.08 7.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.03 143.85 9.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -88.62 147.1 24.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.21 115.62 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.366 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.4 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 12.5 tt0 -115.25 111.52 21.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 83.2 m-85 -114.07 86.79 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.46 26.02 24.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.4 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 5.5 t 39.31 51.49 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -146.09 -49.67 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -108.66 93.89 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 17' ' ' LEU . 46.4 t -87.12 137.35 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -134.75 170.1 16.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -132.1 112.45 12.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.95 ' HA ' HD23 ' A' ' 14' ' ' LEU . 2.6 t80 -78.55 136.41 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.807 HG11 ' CE2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -130.03 156.6 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -135.86 93.13 15.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.98 -3.98 14.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 92.3 mt -111.42 146.82 35.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.611 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.966 ' CD1' HD21 ' A' ' 30' ' ' LEU . 50.1 p90 -141.19 164.44 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.867 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -117.07 139.2 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 16' ' ' GLU . 5.9 p -115.07 106.68 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' CD2' ' A' ' 109' ' ' PHE . 29.7 tt0 -35.05 122.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.2 mt -122.18 167.03 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 167.61 29.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -2.99 13.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.03 -15.87 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.65 42.86 3.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.967 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.21 151.36 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.966 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -123.46 157.73 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 21.6 m-85 -150.77 111.93 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 2.0 mtt-85 -89.65 142.33 27.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.638 HD21 HD13 ' A' ' 64' ' ' LEU . 75.7 mt -100.28 78.38 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -67.51 167.91 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 15.4 mt -40.75 158.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 85.99 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.7 p -105.18 139.72 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.7 m -117.05 122.13 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -97.65 126.47 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.701 ' CG1' HD23 ' A' ' 52' ' ' LEU . 11.8 t -103.98 148.37 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.76 -141.35 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 52' ' ' LEU . 51.3 p -116.05 7.71 14.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.779 . . . . 0.0 110.449 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 160.07 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 tptt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.434 ' HA ' HG23 ' A' ' 38' ' ' THR . 19.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.908 HG22 ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -92.44 127.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.87 110.91 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.908 ' CD2' HG22 ' A' ' 50' ' ' ILE . 4.0 mm? -108.05 135.82 48.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.25 113.21 18.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.88 166.51 39.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.54 2.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.75 16.83 6.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 5.4 mm -101.63 152.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.562 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -121.83 -178.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.96 -58.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -102.34 74.6 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.592 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 4.8 t60 -57.64 -68.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.2 p -152.68 164.23 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -111.07 132.96 53.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.638 HD13 HD21 ' A' ' 33' ' ' LEU . 3.5 mt -112.66 110.4 20.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.5 m -108.13 146.88 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -119.37 107.38 13.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -118.68 99.15 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.69 22.08 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.68 -18.62 56.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.3 143.58 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.611 HG21 ' HG2' ' A' ' 12' ' ' PRO . 48.0 t -135.22 136.95 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.804 HG22 ' HA ' ' A' ' 94' ' ' MET . 10.0 p -136.68 119.03 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 89' ' ' ILE . 3.3 p -69.09 119.5 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.589 HG23 ' OG1' ' A' ' 92' ' ' THR . 61.9 m -119.61 105.37 43.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.22 5.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -119.56 30.84 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.19 124.02 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.4 ttp -80.14 60.42 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.8 m-20 170.47 -32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.494 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -65.68 102.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 13.6 mp0 -75.83 125.72 29.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.406 HG21 HG21 ' A' ' 73' ' ' VAL . 3.2 m -127.91 110.98 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.543 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 37.3 m-85 -115.47 116.62 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.6 t -92.75 91.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.3 t70 82.7 31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.93 7.35 84.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -114.65 115.11 26.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.543 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 8.1 ttt180 -69.71 153.28 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.564 HD13 HG13 ' A' ' 73' ' ' VAL . 7.0 pt -124.25 150.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.64 -15.22 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -142.33 -177.61 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.589 ' OG1' HG23 ' A' ' 74' ' ' THR . 20.1 m -56.61 102.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.6 m -103.63 130.53 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.804 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -63.3 156.3 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.507 HD13 HD11 ' A' ' 101' ' ' LEU . 29.8 mt -116.02 138.43 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -120.91 154.87 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.5 p -67.74 122.23 17.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.16 -32.79 6.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.7 142.69 49.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 109' ' ' PHE . 2.6 mtm-85 -88.56 151.44 22.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -125.97 106.17 9.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.505 ' HG3' HG12 ' A' ' 108' ' ' VAL . 2.6 tt0 -91.41 133.35 35.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 101' ' ' LEU . 14.7 m-85 -124.07 71.28 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 96.73 39.13 4.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.491 ' CG2' ' CE2' ' A' ' 83' ' ' TYR . 17.7 p 32.41 45.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.6 p -144.37 -47.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -122.81 105.0 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.616 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.58 ' C ' ' CD1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -104.24 165.18 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 30.4 m-85 -150.18 160.52 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -111.98 112.83 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.4 t80 -79.08 129.51 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.9 t -127.78 145.29 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -112.16 97.55 39.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.453 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 -4.81 15.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.037 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 m -155.66 96.74 1.79 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 0.79 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -133.34 -61.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.13 173.92 14.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.98 157.22 26.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 0.798 . . . . 0.0 109.966 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -145.82 102.55 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.06 80.49 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.127 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.04 -16.15 20.28 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.479 1.778 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.8 2.84 52.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.26 60.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 19.7 mt -100.16 155.02 36.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -74.97 137.75 22.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.655 ' CD2' HD21 ' A' ' 30' ' ' LEU . 37.3 p90 -131.53 163.23 28.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.7 mt -115.34 109.47 17.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.619 ' O ' HG13 ' A' ' 15' ' ' VAL . 7.2 p -92.68 102.73 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 17' ' ' LEU . 25.4 tt0 -45.59 133.27 7.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.6 mt -118.34 163.68 16.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -51.85 174.27 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -75.06 -5.63 17.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.39 -11.13 14.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 41.11 5.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 t -124.13 161.16 26.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.977 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -88.84 107.49 19.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.4 t -55.88 179.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.09 15.35 17.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.6 -175.82 3.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -95.45 110.98 53.72 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 161.86 38.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.78 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.07 153.3 44.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.655 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.97 139.22 49.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 64.1 m-85 -131.82 97.81 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -70.07 110.53 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD2' HD11 ' A' ' 50' ' ' ILE . 32.0 mt -73.46 88.68 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HA ' HD13 ' A' ' 11' ' ' LEU . 47.7 mt-30 -71.95 158.24 36.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.8 mt -40.09 157.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.2 m 85.59 163.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.511 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.4 p -71.08 138.57 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 23.3 m -121.3 103.98 9.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 23.3 mp0 -72.78 139.55 47.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG2' HD22 ' A' ' 64' ' ' LEU . 16.5 t -114.3 168.12 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 127.05 -151.51 18.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 52' ' ' LEU . 69.2 p -104.52 -17.65 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.367 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -79.94 157.68 26.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.47 98.15 7.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.412 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 17.3 m-85 -88.46 -57.11 3.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.31 162.13 13.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -63.29 -38.32 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -113.27 60.84 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.6 p -103.98 175.24 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 40' ' ' VAL . 15.8 mt -95.3 119.61 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -112.3 98.87 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.771 ' O ' HG22 ' A' ' 42' ' ' THR . 89.7 mt -103.34 143.66 32.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -129.85 112.25 13.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.36 159.84 30.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.02 1.54 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 116.11 15.19 7.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -99.08 152.8 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 1.6 mm-40 -112.43 175.11 1.99 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.05 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 1.7 t-160 -107.67 78.69 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.621 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.488 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.4 t60 -69.64 -70.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.78 168.62 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.261 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.495 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.2 m-20 -127.12 121.82 32.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -88.09 115.36 25.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.511 ' OG1' HG23 ' A' ' 37' ' ' VAL . 60.7 m -115.44 118.31 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.416 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -92.61 106.6 18.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 mmt -118.76 97.46 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 1.021 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER 67.55 68.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.14 27.11 2.46 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.436 1.085 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 68' ' ' ASP . 46.3 t -130.62 134.32 62.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 95' ' ' LEU . 21.6 t -124.89 139.09 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.1 p -133.51 125.04 28.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.388 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.59 HG13 HD13 ' A' ' 89' ' ' ILE . 2.7 p -70.27 124.54 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 m -122.92 105.29 35.05 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -78.91 -22.77 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -127.55 132.95 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -35.97 78.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.32 -40.18 89.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.488 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -63.61 97.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 12.7 mp0 -67.35 120.25 13.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.7 m -128.26 110.18 12.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 81' ' ' GLU . 28.7 m-85 -113.46 118.46 34.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.51 HG21 HG11 ' A' ' 73' ' ' VAL . 57.3 t -92.27 91.72 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.5 OUTLIER 80.67 37.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.67 18.72 77.02 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -127.58 115.86 19.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.59 154.12 42.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.59 HD13 HG13 ' A' ' 73' ' ' VAL . 13.7 pt -120.65 166.1 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.7 m -135.44 10.33 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -174.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.496 HG22 ' HB ' ' A' ' 72' ' ' THR . 36.8 m -51.46 107.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.419 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.3 m -113.8 118.69 34.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.919 ' HA ' HG22 ' A' ' 72' ' ' THR . 37.1 ttm -52.92 139.48 27.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 71' ' ' VAL . 76.5 mt -107.31 143.73 35.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -129.28 154.57 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -62.18 125.16 22.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.1 -34.43 5.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 95' ' ' LEU . 4.3 mtm -55.57 135.09 51.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.761 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER -89.07 160.93 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -138.87 107.68 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.571 HE21 HG22 ' A' ' 105' ' ' THR . 14.3 tt0 -96.01 116.6 29.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -109.19 106.45 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 69.0 35.3 78.47 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.571 HG22 HE21 ' A' ' 102' ' ' GLN . 18.8 p 37.7 56.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.37 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 79.6 p -166.5 -43.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -100.96 93.96 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.433 HG12 ' HB2' ' A' ' 17' ' ' LEU . 40.5 t -98.02 135.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' LEU . 17.6 m-85 -135.38 154.78 51.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.472 ' HD3' HG23 ' A' ' 112' ' ' VAL . 0.2 OUTLIER -118.4 119.47 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.6 t80 -86.64 133.64 33.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.527 HG11 ' OH ' ' A' ' 13' ' ' TYR . 11.1 t -132.37 143.0 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -113.18 104.89 55.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.491 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.01 -13.15 21.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -60.84 -47.83 84.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.43 143.45 6.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 71.63 4.94 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t 51.89 88.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.947 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.26 143.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -110.38 132.62 54.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 m -134.89 -58.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.1 140.92 3.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.98 167.62 18.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.78 . . . . 0.0 110.048 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -145.06 102.22 3.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.73 -169.58 36.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -22.46 15.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 10' ' ' LYS . 2.1 pt-20 -102.74 45.17 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -165.02 30.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 34' ' ' GLN . 31.4 mt -95.85 155.04 38.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.96 29.46 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' HD2' HD21 ' A' ' 30' ' ' LEU . 23.6 p90 -135.45 161.79 34.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 11.7 mt -117.95 108.63 15.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.733 HG23 HD23 ' A' ' 30' ' ' LEU . 9.1 p -92.89 105.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' O ' HD23 ' A' ' 17' ' ' LEU . 22.8 tt0 -48.19 132.12 16.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.6 mt -118.44 164.07 15.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.79 171.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -3.42 13.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -112.2 -6.34 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.26 38.45 6.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -120.02 159.54 24.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.01 75.68 1.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 p -150.07 54.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.68 57.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.326 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t0 66.52 179.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -65.11 111.92 7.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 164.45 33.39 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.03 152.11 46.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.733 HD23 HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -130.92 150.5 52.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -148.35 102.05 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.34 112.11 9.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 14' ' ' LEU . 22.8 mt -73.48 88.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.564 ' HA ' HD13 ' A' ' 11' ' ' LEU . 51.1 mt-30 -72.57 159.28 34.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.5 mt -40.17 156.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.4 m 85.83 162.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.064 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.7 p -67.63 147.99 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.4 m -131.92 103.13 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 49.5 mp0 -73.14 136.53 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.62 ' CG2' HD22 ' A' ' 64' ' ' LEU . 54.0 t -113.14 168.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.538 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 129.4 -146.63 17.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 52' ' ' LEU . 16.3 p -112.79 8.28 18.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.33 175.24 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.26 110.08 12.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 19.9 m-85 -104.54 -67.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.06 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.49 -168.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -79.07 -45.32 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -115.26 62.99 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.2 p -87.58 149.78 24.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.569 HD12 HG22 ' A' ' 40' ' ' VAL . 50.5 mt -74.62 113.57 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.42 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' THR . 0.8 OUTLIER -127.02 167.36 16.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -145.62 122.22 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.59 158.0 29.18 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.78 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.422 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 129.85 -4.14 6.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.064 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.0 mm -79.45 152.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.49 175.89 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.02 -53.83 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.569 ' CE1' ' CE2' ' A' ' 45' ' ' PHE . 1.2 t-160 -104.82 77.63 1.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.56 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.27 -71.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 0.0 109.602 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 74' ' ' THR . 25.2 p -148.74 165.81 30.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.315 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -122.76 115.98 22.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.62 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -85.28 113.1 21.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.567 ' OG1' HG23 ' A' ' 37' ' ' VAL . 89.0 m -114.9 122.05 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -94.57 106.68 18.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -118.97 98.83 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.944 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.3 t70 67.09 61.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.79 23.87 16.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 68' ' ' ASP . 25.0 t -125.68 136.25 61.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.53 HG12 HD12 ' A' ' 95' ' ' LEU . 46.0 t -125.92 136.94 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.793 HG22 ' HA ' ' A' ' 94' ' ' MET . 31.5 p -131.37 120.28 22.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.627 HG13 HD13 ' A' ' 89' ' ' ILE . 4.2 p -68.48 124.83 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.506 HG23 ' OG1' ' A' ' 92' ' ' THR . 38.0 m -127.98 108.21 20.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -73.84 -22.63 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.0 m -129.87 140.05 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 59.7 mtp -70.78 -44.25 67.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.83 -36.19 25.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.36 105.81 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 8.4 mp0 -79.37 114.7 18.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 m -120.93 105.55 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 88' ' ' ARG . 48.8 m-85 -106.05 115.46 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.498 HG12 ' SD ' ' A' ' 99' ' ' MET . 92.7 t -87.2 91.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.7 OUTLIER 74.98 31.46 0.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.01 46.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.1 mt-30 -127.9 111.09 13.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -71.47 132.99 45.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.627 HD13 HG13 ' A' ' 73' ' ' VAL . 26.8 pt -98.24 169.0 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.82 10.62 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.4 pt-20 -177.36 -175.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.506 ' OG1' HG23 ' A' ' 74' ' ' THR . 48.9 m -55.39 102.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.427 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.8 m -109.84 131.66 54.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.793 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -60.99 150.04 34.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 111.03 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.592 HD11 ' HB ' ' A' ' 73' ' ' VAL . 75.7 mt -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -133.25 145.8 50.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 p -52.87 128.3 26.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.23 -38.72 3.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.498 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -52.36 137.15 29.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 111.028 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 mtm105 -91.23 155.71 18.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -133.52 108.69 8.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.441 ' HB2' HG22 ' A' ' 108' ' ' VAL . 45.3 tt0 -102.98 106.53 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 101' ' ' LEU . 12.9 m-30 -92.31 97.03 10.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.417 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 97.92 -95.87 1.71 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER 178.26 57.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 0.775 . . . . 0.0 110.387 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.2 t -179.1 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -101.25 119.52 38.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.583 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.441 HG22 ' HB2' ' A' ' 102' ' ' GLN . 11.1 t -123.92 147.09 28.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 24.1 m-85 -139.45 150.68 45.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.427 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -114.27 118.69 34.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.496 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 2.7 t80 -86.87 135.92 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 23.6 t -134.42 147.59 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -114.77 103.2 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.502 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.99 -8.24 19.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -60.47 -46.55 89.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -96.47 -135.42 8.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 125.18 9.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.67 -56.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.989 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.43 158.48 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.95 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -116.68 159.58 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.38 83.36 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.99 133.74 2.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -133.93 147.85 51.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.781 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -81.27 88.41 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.75 -144.19 12.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -15.63 20.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.04 24.6 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -152.62 43.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.643 HD22 ' CD2' ' A' ' 35' ' ' LEU . 90.2 mt -121.36 150.76 55.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.04 137.86 22.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.602 ' CD2' HD21 ' A' ' 30' ' ' LEU . 49.6 p90 -134.44 168.42 18.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 64' ' ' LEU . 16.8 mt -120.18 109.0 14.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 15' ' ' VAL . 8.0 p -92.59 102.62 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 22.0 tt0 -44.51 135.4 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.1 mt -118.96 164.77 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.29 172.34 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.67 8.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.72 -3.38 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.58 38.96 11.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.5 p -124.21 162.8 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.972 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.28 113.19 24.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.49 167.16 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.84 51.49 2.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.24 -171.65 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -98.31 109.79 53.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HG2' ' CG2' ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.95 162.53 37.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 152.53 45.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.37 161.28 31.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 44.1 m-85 -155.38 102.01 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -69.58 117.77 11.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD22 HG21 ' A' ' 38' ' ' THR . 13.0 mt -83.31 79.9 9.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.409 ' HA ' HD13 ' A' ' 11' ' ' LEU . 24.9 mt-30 -54.31 166.96 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.643 ' CD2' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.56 103.87 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 96.9 p 172.44 -134.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 t -128.47 104.65 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.417 HG21 HD22 ' A' ' 33' ' ' LEU . 2.0 m -98.64 101.63 13.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -83.47 125.17 31.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 ' HB ' ' A' ' 50' ' ' ILE . 85.2 t -101.85 151.25 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.38 -139.56 9.27 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.695 HG22 ' O ' ' A' ' 52' ' ' LEU . 70.9 p -118.91 8.22 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 0.809 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -105.47 173.05 6.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.22 140.43 52.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -138.71 -62.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -101.09 165.9 11.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.94 -41.58 97.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -103.68 62.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.3 p -101.5 164.39 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 40' ' ' VAL . 87.1 mt -101.57 117.58 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -112.98 98.83 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.695 ' O ' HG22 ' A' ' 42' ' ' THR . 52.3 mt -103.17 147.07 27.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -129.48 117.29 20.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.12 162.85 33.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 102.65 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 114.86 20.53 5.66 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 mm -103.21 152.73 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 2.0 mm-40 -115.75 177.59 1.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -98.33 75.37 2.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.581 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.603 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.5 t60 -63.24 -67.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' THR . 30.9 p -154.91 171.08 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.323 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -124.88 112.24 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.48 HD13 HD11 ' A' ' 14' ' ' LEU . 5.7 mt -85.14 95.17 9.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.5 m -100.22 147.77 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.536 ' HB3' HD13 ' A' ' 35' ' ' LEU . 57.7 t-20 -114.05 107.4 15.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.25 98.44 6.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.619 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER 65.97 75.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.48 30.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 68' ' ' ASP . 51.1 t -136.25 131.11 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 95' ' ' LEU . 7.7 t -120.75 138.8 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 94' ' ' MET . 21.5 p -133.74 120.77 20.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 89' ' ' ILE . 3.5 p -66.75 123.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.428 HG23 ' OG1' ' A' ' 92' ' ' THR . 33.8 m -121.7 104.85 38.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.3 Cg_endo -75.02 115.96 4.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -90.28 -1.71 57.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -131.72 131.53 43.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mtt -76.3 -23.99 54.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -82.33 -30.44 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.603 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -66.93 102.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.557 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.1 mt-10 -74.83 117.71 16.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.432 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 2.1 m -127.63 105.57 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 23.4 m-85 -107.71 116.57 32.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.3 t -87.72 91.42 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.9 t0 79.76 26.75 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.21 7.44 62.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -114.86 114.94 26.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -69.09 152.12 45.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 73' ' ' VAL . 6.4 pt -120.69 153.1 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 91' ' ' GLU . 32.1 t -121.96 -4.22 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 90' ' ' SER . 36.7 mt-10 -158.98 -173.6 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.428 ' OG1' HG23 ' A' ' 74' ' ' THR . 14.8 m -58.92 105.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -110.48 136.36 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.618 ' HA ' HG22 ' A' ' 72' ' ' THR . 15.3 ttm -65.0 153.7 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.46 HD12 HG12 ' A' ' 71' ' ' VAL . 81.3 mt -119.21 146.16 45.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -134.04 132.59 40.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -42.45 132.36 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.021 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.83 -31.01 9.18 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.127 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.438 ' SD ' HG12 ' A' ' 84' ' ' VAL . 1.4 mtm -59.16 138.6 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 158.05 17.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -134.25 107.02 7.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 13.6 tt0 -101.37 115.49 30.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 96.1 m-85 -109.9 101.2 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.68 35.44 51.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.436 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 20.6 p 37.74 52.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.4 t -156.44 -54.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.05 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -93.12 98.72 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 17' ' ' LEU . 24.7 t -101.85 133.57 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 17.7 m-85 -136.56 156.67 48.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.473 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -117.1 121.26 40.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 3.5 t80 -89.69 136.49 33.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.517 ' HB ' ' CZ ' ' A' ' 13' ' ' TYR . 25.1 t -134.86 150.79 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -119.94 102.5 46.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -18.64 18.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.9 t -61.71 -50.49 72.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.961 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.55 144.03 8.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 114.03 3.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -147.58 104.47 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 51.86 100.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -55.54 130.26 42.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 0.754 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -135.06 95.49 3.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.82 151.51 8.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.61 135.25 4.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.94 89.19 4.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.81 95.75 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -43.46 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.512 1.796 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -74.15 58.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.55 -39.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.878 HD22 ' HA ' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -68.36 153.0 96.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' O ' HD12 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 134.98 18.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD1' HD21 ' A' ' 30' ' ' LEU . 50.6 p90 -125.32 168.91 12.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.669 HD12 HD21 ' A' ' 33' ' ' LEU . 27.5 mt -119.35 112.23 19.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 15' ' ' VAL . 10.0 p -96.37 105.26 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.521 ' O ' HD23 ' A' ' 17' ' ' LEU . 23.8 tt0 -48.47 138.4 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.632 ' HB2' HG12 ' A' ' 108' ' ' VAL . 13.4 mt -121.64 165.43 15.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.88 174.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.783 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -14.55 12.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.81 37.51 6.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 t -124.08 163.44 21.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.014 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -94.18 98.9 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.7 m -59.89 177.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -86.04 52.35 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.52 177.48 10.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -94.14 113.93 61.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 154.29 42.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.434 1.755 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.52 153.64 43.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -122.63 132.2 54.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.424 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.6 m-85 -119.06 77.71 1.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.454 ' NH1' ' CD2' ' A' ' 30' ' ' LEU . 1.7 mmt-85 -51.54 128.92 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.669 HD21 HD12 ' A' ' 14' ' ' LEU . 18.3 mt -90.91 62.03 4.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.878 ' HA ' HD22 ' A' ' 11' ' ' LEU . 25.7 mt-30 -37.04 143.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.356 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.8 mt -39.81 158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 84.62 164.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 11.5 p -68.9 136.71 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.495 HG23 ' HA ' ' A' ' 49' ' ' SER . 99.6 m -120.01 108.71 14.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 119.82 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.659 ' CG2' HD22 ' A' ' 64' ' ' LEU . 58.0 t -96.08 167.68 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.535 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 123.05 -154.93 17.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.98 HG22 ' O ' ' A' ' 52' ' ' LEU . 80.9 p -105.69 -7.28 18.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -87.78 148.87 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 101.85 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 43' ' ' GLU . 26.0 m-85 -91.34 -69.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -98.61 173.82 6.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.7 -40.39 69.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -106.71 63.77 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.495 ' HA ' HG23 ' A' ' 38' ' ' THR . 64.3 p -106.51 -173.61 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.534 HD11 ' CD2' ' A' ' 33' ' ' LEU . 36.0 mt -114.57 119.19 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -109.65 112.66 24.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.98 ' O ' HG22 ' A' ' 42' ' ' THR . 75.6 mt -115.29 140.12 49.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -124.97 112.67 16.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.63 159.75 28.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 96.62 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.12 8.56 9.4 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.544 1.153 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.5 mm -84.72 152.6 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.475 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -111.67 176.59 1.45 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -53.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.464 ' CE1' ' CE2' ' A' ' 45' ' ' PHE . 1.7 t-160 -106.5 78.84 1.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.627 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.3 t60 -67.64 -68.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 74' ' ' THR . 14.8 p -153.47 174.12 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -130.05 117.67 20.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.659 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -84.84 111.37 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.4 m -105.55 112.91 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.077 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' HD2' ' A' ' 12' ' ' PRO . 52.0 t-20 -90.91 107.24 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.5 mmt -117.95 114.15 22.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 54.81 25.61 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.42 -24.59 31.33 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.0 t -75.44 138.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 0.781 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.654 HG12 HD12 ' A' ' 95' ' ' LEU . 24.9 t -123.26 144.74 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.727 HG22 ' HA ' ' A' ' 94' ' ' MET . 9.9 p -137.67 120.81 16.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.645 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.8 p -73.19 126.21 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 91.0 m -128.77 107.51 18.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.451 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.99 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -75.83 -22.84 55.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 m -129.58 142.12 50.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -46.49 56.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.45 -34.87 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.51 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -71.45 104.83 3.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -83.04 122.47 28.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 110.233 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -127.2 100.81 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.576 ' CE2' ' HG3' ' A' ' 88' ' ' ARG . 37.7 m-85 -98.65 115.49 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 89.2 t -86.76 91.55 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.7 t0 79.21 25.78 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.34 22.86 28.3 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -132.11 110.87 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.576 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 ttm180 -69.51 144.03 53.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.623 HD13 HG13 ' A' ' 73' ' ' VAL . 13.4 pt -108.33 168.98 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -136.27 10.7 3.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' O ' HD12 ' A' ' 89' ' ' ILE . 4.2 pt-20 -176.97 -178.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.8 m -51.14 104.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.437 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG12 ' A' ' 73' ' ' VAL . 4.4 m -112.9 125.01 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.727 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -59.9 146.28 42.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.969 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.654 HD12 HG12 ' A' ' 71' ' ' VAL . 83.2 mt -112.95 144.39 42.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -127.52 143.87 51.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 p -51.28 128.3 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.26 -34.43 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.438 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -53.82 140.47 30.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.986 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.0 147.96 22.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.575 HD13 HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -122.52 107.15 11.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.4 tt0 -102.44 116.4 32.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.449 ' CZ ' HD22 ' A' ' 101' ' ' LEU . 97.7 m-85 -107.9 106.81 17.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.23 37.23 94.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.413 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 1.7 t 37.99 53.06 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.8 m -152.14 -47.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -103.46 113.36 26.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.632 HG12 ' HB2' ' A' ' 17' ' ' LEU . 54.8 t -112.63 134.27 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 29.1 m-85 -142.25 142.03 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.561 ' O ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -104.7 111.92 24.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.356 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.7 t80 -80.04 132.7 36.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 38.7 t -132.47 153.54 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -120.97 101.45 45.06 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -9.57 20.76 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.6 t -61.36 -48.37 81.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 110.33 144.31 10.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 133.11 16.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.22 146.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 t -175.6 130.99 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.15 116.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.22 147.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.86 -73.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -94.09 161.67 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -132.31 109.37 9.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.64 119.99 0.55 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -75.04 -14.25 21.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -102.55 38.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.35 23.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.807 HD22 ' HA ' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -129.96 158.11 74.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.569 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.3 Cg_endo -74.97 133.99 17.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.721 ' CD1' HD21 ' A' ' 30' ' ' LEU . 51.6 p90 -130.06 164.54 24.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.891 HD21 HD13 ' A' ' 101' ' ' LEU . 11.8 mt -109.65 146.24 35.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.794 HG12 ' O ' ' A' ' 110' ' ' LYS . 13.5 p -133.03 107.49 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 17' ' ' LEU . 21.8 tt0 -50.91 135.2 24.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 16' ' ' GLU . 13.1 mt -120.66 164.98 15.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -56.08 173.37 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.99 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.17 -13.25 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.23 39.09 5.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -124.2 163.21 22.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -95.58 100.02 11.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -177.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.29 14.68 13.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -124.99 146.69 49.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -65.66 112.44 8.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.6 41.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.24 155.22 40.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.2 131.5 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 52' ' ' LEU . 2.8 m-85 -119.84 83.62 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -56.54 136.0 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 34' ' ' GLN . 12.9 mt -95.11 57.83 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.807 ' HA ' HD22 ' A' ' 11' ' ' LEU . 28.0 mt-30 -36.7 144.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -39.93 158.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER 85.85 163.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG23 ' OG1' ' A' ' 65' ' ' THR . 12.4 p -67.56 127.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -111.29 109.25 19.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' OE1' ' CD2' ' A' ' 60' ' ' HIS . 2.4 mt-10 -71.25 132.35 44.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.695 ' CG2' HD22 ' A' ' 64' ' ' LEU . 61.0 t -110.57 155.51 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.76 -157.0 21.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.912 HG22 ' O ' ' A' ' 52' ' ' LEU . 66.2 p -105.06 20.87 18.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.537 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -114.6 169.62 8.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -124.51 114.65 19.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 43' ' ' GLU . 90.3 m-85 -114.56 -59.98 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.98 162.96 13.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -58.17 -46.44 85.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -115.64 64.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.6 p -92.29 179.95 5.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' HG13 ' A' ' 40' ' ' VAL . 29.0 mt -100.56 115.26 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.0 105.28 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.912 ' O ' HG22 ' A' ' 42' ' ' THR . 48.7 mt -108.46 155.58 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -140.14 116.69 10.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.79 160.52 31.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.01 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 122.2 8.09 7.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 103' ' ' PHE . 14.2 mm -88.87 152.89 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 56' ' ' GLY . 2.2 mm-40 -112.67 174.14 2.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 58' ' ' GLN . 18.6 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.481 ' HE2' ' CG ' ' A' ' 63' ' ' ASP . 18.4 t-160 -103.76 77.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.6 t60 -69.41 -68.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.614 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.4 p -154.36 173.05 16.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.481 ' CG ' ' HE2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -131.04 115.51 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.695 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -84.7 109.11 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.498 ' OG1' HG23 ' A' ' 37' ' ' VAL . 84.9 m -105.37 114.56 28.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.441 ' HB3' HD23 ' A' ' 35' ' ' LEU . 31.7 t-20 -89.01 105.89 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.43 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 4.3 mmt -119.47 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 1.019 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.31 71.43 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.44 28.05 1.4 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.019 HG23 ' O ' ' A' ' 68' ' ' ASP . 48.9 t -132.5 139.76 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.559 0.8 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.627 HG12 HD12 ' A' ' 95' ' ' LEU . 24.8 t -130.23 145.8 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.742 HG22 ' HA ' ' A' ' 94' ' ' MET . 20.3 p -136.9 119.69 16.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.671 HG13 HD13 ' A' ' 89' ' ' ILE . 2.7 p -67.34 125.91 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.1 m -127.85 104.01 21.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.02 118.91 5.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' CB ' ' CE1' ' A' ' 60' ' ' HIS . 23.7 mmm-85 -113.51 23.36 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.86 127.92 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.414 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -82.7 60.46 5.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.2 m-20 171.24 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.458 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -60.53 103.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 10.4 mm-40 -77.32 125.78 29.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.6 m -128.5 107.66 9.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 51.2 m-85 -108.68 113.61 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.456 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 84.1 t -89.68 91.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.5 t0 78.94 28.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.64 54.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -125.48 113.12 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 110.325 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 7.7 ttt-85 -71.84 131.31 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.671 HD13 HG13 ' A' ' 73' ' ' VAL . 6.9 pt -94.15 165.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -134.15 9.34 3.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.9 pt-20 -178.94 -175.11 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 72' ' ' THR . 7.9 m -51.19 103.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 73' ' ' VAL . 1.4 m -112.94 117.02 30.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.427 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.742 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.15 145.64 10.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.627 HD12 HG12 ' A' ' 71' ' ' VAL . 87.7 mt -111.96 146.44 37.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -131.91 146.25 52.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.8 p -54.72 127.24 27.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.09 -28.37 13.17 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.45 141.58 58.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -89.03 154.45 20.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.891 HD13 HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -129.16 107.1 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.443 ' NE2' ' CD2' ' A' ' 83' ' ' TYR . 26.3 tt0 -96.1 131.43 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 90.2 m-85 -129.01 85.78 2.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 80.29 40.53 13.27 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.696 ' O ' HG23 ' A' ' 105' ' ' THR . 3.6 t 35.9 41.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 0.79 . . . . 0.0 110.429 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.0 t -145.0 -51.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -97.15 103.52 15.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 17' ' ' LEU . 32.5 t -110.99 126.39 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 16' ' ' GLU . 14.6 m-85 -134.98 142.96 46.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.794 ' O ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -101.62 120.13 39.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.9 t80 -81.84 138.75 35.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.582 HG11 ' OH ' ' A' ' 13' ' ' TYR . 25.4 t -132.45 150.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -124.0 104.0 33.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -24.42 12.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 t -46.48 -53.82 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.8 143.55 11.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.89 6.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.9 t -154.25 143.61 21.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.48 152.08 51.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -117.49 -58.32 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 0.739 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.33 100.98 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.12 132.26 4.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.16 169.09 2.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 0.744 . . . . 0.0 110.035 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.47 98.41 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.54 66.64 2.7 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.504 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.93 -21.52 15.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.72 3.25 33.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.43 59.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 8' ' ' PRO . 19.5 mt -102.69 154.89 37.17 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.496 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.03 139.26 23.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.67 ' CD1' HD21 ' A' ' 30' ' ' LEU . 48.7 p90 -136.11 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 12.6 mt -117.9 109.74 16.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.3 p -92.57 101.86 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.8 tt0 -42.86 136.22 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.5 mt -117.63 165.43 13.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 171.97 1.92 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 0.24 9.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.16 2.59 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.65 46.34 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 m -122.58 163.55 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.023 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -131.08 -179.09 5.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t 69.96 -167.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 63.44 15.54 8.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 167.66 -175.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -103.44 106.96 54.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 131.48 14.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.456 1.766 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.48 152.17 46.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.88 146.23 52.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 50.3 m-85 -136.76 96.75 3.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -69.29 116.65 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' CD2' HD11 ' A' ' 50' ' ' ILE . 15.9 mt -81.89 91.47 6.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' LEU . 26.7 mt-30 -71.63 154.16 41.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.1 mt -39.77 157.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 86.01 166.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.884 HG23 ' OD1' ' A' ' 63' ' ' ASP . 10.5 p -71.87 133.22 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 97.3 m -120.39 104.54 10.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 10.9 mp0 -71.1 145.52 49.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.622 HG22 HD12 ' A' ' 50' ' ' ILE . 24.6 t -120.77 168.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.503 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 128.95 -142.84 13.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.3 p -116.58 9.53 14.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.67 167.56 10.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.24 108.57 13.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -99.97 -63.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.07 -167.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.07 -38.68 17.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -115.46 59.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 76.9 p -89.84 166.34 13.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.622 HD12 HG22 ' A' ' 40' ' ' VAL . 31.2 mt -94.48 124.12 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.84 104.69 12.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' PHE . 32.6 mt -107.68 162.73 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 9.0 m-85 -146.01 114.73 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.05 160.8 33.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.94 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.437 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 116.16 14.59 7.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -97.95 152.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.493 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.9 mm-40 -115.86 177.85 1.11 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.408 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 5.1 t-160 -101.96 77.25 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.61 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.452 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.3 t60 -65.54 -69.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.163 . . . . 0.0 109.598 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' HG23 ' A' ' 73' ' ' VAL . 15.5 p -154.2 176.54 12.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.884 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -131.53 125.32 32.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.49 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -91.87 116.04 28.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.6 m -110.83 114.09 27.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 61.7 t30 -92.19 120.51 32.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 1.026 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -118.62 95.12 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.5 7.65 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 128.14 -28.67 4.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.026 HG12 ' O ' ' A' ' 67' ' ' MET . 14.8 p -72.93 131.84 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.536 HG12 HD12 ' A' ' 95' ' ' LEU . 42.4 t -117.31 140.53 39.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.691 HG22 ' HA ' ' A' ' 94' ' ' MET . 55.5 p -134.6 121.12 20.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.441 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.723 HG13 HD13 ' A' ' 89' ' ' ILE . 2.5 p -74.52 123.48 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.609 ' OG1' HG23 ' A' ' 92' ' ' THR . 85.8 m -122.97 105.71 34.57 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.4 Cg_endo -75.0 129.82 12.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -125.62 29.55 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.18 132.14 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -84.75 61.71 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.423 ' CG ' ' O ' ' A' ' 78' ' ' MET . 8.4 m-20 169.42 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -61.98 115.87 4.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mm-40 -89.78 127.9 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.644 HG21 HG21 ' A' ' 73' ' ' VAL . 25.6 m -128.2 102.42 6.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.623 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 70.1 m-85 -107.04 112.62 25.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 76.0 t -91.53 91.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 9.8 t0 82.91 33.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.85 18.62 69.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -127.31 112.48 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.495 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -66.51 152.76 44.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.723 HD13 HG13 ' A' ' 73' ' ' VAL . 10.4 pt -119.37 153.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.54 -5.89 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -156.93 -174.15 4.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.609 HG23 ' OG1' ' A' ' 74' ' ' THR . 71.4 m -56.05 104.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.42 ' O ' HG12 ' A' ' 73' ' ' VAL . 5.8 m -109.57 127.32 54.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.381 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.691 ' HA ' HG22 ' A' ' 72' ' ' THR . 4.2 ttp -60.78 156.9 16.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.536 HD12 HG12 ' A' ' 71' ' ' VAL . 69.5 mt -121.41 146.03 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -129.53 147.42 51.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -57.17 125.23 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.73 -36.69 4.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.59 146.35 7.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.436 ' NH2' ' OE1' ' A' ' 102' ' ' GLN . 0.7 OUTLIER -89.19 153.06 21.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -123.16 116.75 23.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.436 ' OE1' ' NH2' ' A' ' 100' ' ' ARG . 2.7 tt0 -107.9 125.33 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.504 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 84.7 m-85 -127.61 79.88 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.81 30.44 10.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.069 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.3 p 39.43 41.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 p -142.71 -47.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -104.74 95.86 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.617 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 38.5 t -93.03 129.3 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 16.4 m-85 -125.23 173.15 8.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.482 ' HD3' HG23 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -133.56 118.28 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.487 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 3.8 t80 -84.44 134.61 34.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.482 HG23 ' HD3' ' A' ' 110' ' ' LYS . 5.0 t -134.53 146.46 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -116.47 104.88 51.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.06 -8.94 20.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.964 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.68 -47.43 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.42 144.84 14.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 89.08 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 67.7 p -143.09 161.92 36.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.65 81.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p -140.92 141.03 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 p -128.97 97.13 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.88 -142.21 6.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -59.03 168.58 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -171.79 92.73 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.79 126.29 0.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.57 16.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.73 27.72 2.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' CD ' ' HA ' ' A' ' 115' ' ' SER . 3.9 mttm -156.11 45.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 89.3 mt -118.49 148.06 43.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.639 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.03 137.57 21.82 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.921 ' C ' HD13 ' A' ' 14' ' ' LEU . 40.4 p90 -140.67 162.8 34.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.921 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -110.07 123.29 49.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' LYS . 11.6 p -103.82 121.32 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 17' ' ' LEU . 12.6 tt0 -51.12 126.86 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 110' ' ' LYS . 5.4 mt -113.71 162.07 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.45 170.87 1.99 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -111.09 -17.09 13.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.43 41.87 2.12 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.1 p -123.41 158.16 31.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.489 ' CG ' HD22 ' A' ' 17' ' ' LEU . 1.1 m-20 -112.01 122.04 46.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.83 -157.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 65.05 72.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.1 t0 50.38 -175.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.158 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.65 112.5 8.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 160.43 40.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 152.24 46.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.22 160.93 33.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 61.0 m-85 -149.44 99.57 2.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.58 133.7 42.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.716 HD22 HD23 ' A' ' 64' ' ' LEU . 18.7 mt -100.71 106.37 17.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -81.58 158.31 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.905 HD23 ' HB3' ' A' ' 66' ' ' ASN . 16.6 mt -47.99 171.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m 78.14 -150.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.674 HG13 ' OD1' ' A' ' 63' ' ' ASP . 49.0 t -106.73 150.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.629 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.4 m -136.14 99.06 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.38 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -71.65 114.4 9.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 41' ' ' GLY . 41.6 t -92.28 167.84 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.513 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.85 -135.37 8.23 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 52' ' ' LEU . 15.8 p -122.88 8.56 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.61 157.7 18.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -110.32 111.57 22.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -104.72 -55.27 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -177.1 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.18 -38.81 50.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -95.46 48.96 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.629 ' HA ' HG23 ' A' ' 38' ' ' THR . 95.4 p -105.11 152.26 23.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.528 HG22 ' HG ' ' A' ' 52' ' ' LEU . 48.0 mt -93.62 128.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -117.99 99.02 6.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HG ' HG22 ' A' ' 50' ' ' ILE . 9.1 mt -107.02 164.74 11.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -144.34 117.65 9.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.05 162.65 35.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 103.42 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.442 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 113.44 21.85 5.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.5 mm -103.66 152.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.532 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.1 mm-40 -117.11 179.83 0.75 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -56.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -105.39 76.7 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.586 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.4 t60 -59.89 -60.12 4.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.5 178.4 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.303 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.674 ' OD1' HG13 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -132.91 121.17 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.716 HD23 HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -90.33 114.64 26.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.5 m -113.43 121.19 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.905 ' HB3' HD23 ' A' ' 35' ' ' LEU . 33.9 t-20 -96.05 105.97 18.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.158 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -119.54 97.55 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.95 ' O ' HG23 ' A' ' 70' ' ' VAL . 13.2 m-20 67.48 66.4 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.1 30.43 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.95 HG23 ' O ' ' A' ' 68' ' ' ASP . 61.7 t -131.79 133.42 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.639 HG21 ' HG2' ' A' ' 12' ' ' PRO . 42.5 t -121.31 141.81 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.699 HG22 ' HA ' ' A' ' 94' ' ' MET . 23.7 p -137.33 119.17 15.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.62 HG13 HD13 ' A' ' 89' ' ' ILE . 2.3 p -68.85 115.83 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.881 ' OG1' HG23 ' A' ' 92' ' ' THR . 58.8 m -117.79 105.28 47.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -114.49 29.51 7.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.72 122.74 27.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.415 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.1 tpt -77.92 60.5 2.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.22 -32.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.586 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -64.0 112.94 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 24.7 mm-40 -86.13 129.65 34.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 73' ' ' VAL . 21.8 m -128.82 106.05 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.618 ' CE2' HG23 ' A' ' 105' ' ' THR . 52.5 m-85 -108.31 115.51 30.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 80.5 t -96.16 91.63 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.6 t0 79.21 33.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.61 26.32 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -133.3 113.45 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.315 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' CD ' ' OE1' ' A' ' 81' ' ' GLU . 7.6 ttt-85 -71.42 139.47 49.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.62 HD13 HG13 ' A' ' 73' ' ' VAL . 11.2 pt -108.15 150.3 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.65 -14.05 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -143.13 -175.06 4.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.881 HG23 ' OG1' ' A' ' 74' ' ' THR . 85.6 m -59.15 105.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 73' ' ' VAL . 21.2 m -104.56 134.23 48.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.699 ' HA ' HG22 ' A' ' 72' ' ' THR . 32.6 ttm -66.6 155.23 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD12 HG12 ' A' ' 71' ' ' VAL . 65.5 mt -118.64 140.0 50.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -133.89 142.27 47.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.45 132.32 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.43 -49.05 1.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -38.52 138.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 16.6 mtp180 -89.29 155.4 19.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -131.51 106.83 8.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' OE1' ' CG2' ' A' ' 108' ' ' VAL . 6.6 tt0 -100.35 123.99 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.496 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 90.7 m-85 -120.07 78.05 1.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 98.03 35.83 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.618 HG23 ' CE2' ' A' ' 83' ' ' TYR . 6.1 p 36.31 36.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.395 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.0 p -133.25 -57.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 78.0 m-70 -97.88 108.14 20.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.456 ' CG2' ' OE1' ' A' ' 102' ' ' GLN . 38.0 t -106.01 121.75 58.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 62.8 m-85 -121.62 164.73 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.53 ' HB2' HD11 ' A' ' 17' ' ' LEU . 9.1 tttt -119.64 120.63 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.495 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 7.3 t80 -78.27 134.03 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.493 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 54.2 t -135.27 147.2 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -113.61 96.33 40.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -7.0 18.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.465 ' HA ' ' CD ' ' A' ' 10' ' ' LYS . 13.0 t -63.8 -39.21 93.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 95.51 138.19 9.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.55 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.6 p -117.57 149.18 41.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.958 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.9 m -103.73 145.64 29.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -88.88 125.91 35.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -169.11 136.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.98 -148.99 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.54 -52.8 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.959 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.18 -76.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.93 123.25 1.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.68 5.99 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 10' ' ' LYS . 2.8 pt-20 -86.99 45.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 3.5 mttt -166.23 34.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 90.3 mt -103.95 144.15 28.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.513 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.5 Cg_endo -74.93 144.73 30.86 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.838 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 22.7 p90 -140.09 163.41 32.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD23 ' CA ' ' A' ' 111' ' ' PHE . 5.2 mt -110.82 111.22 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.759 HG22 ' HG2' ' A' ' 28' ' ' PRO . 7.4 p -94.93 108.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.0 tt0 -48.71 137.05 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 16' ' ' GLU . 8.8 mt -118.94 166.49 12.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.432 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -67.56 174.25 2.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.955 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.1 Cg_endo -74.99 0.43 8.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.34 -19.14 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.76 20.02 41.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.3 t -124.06 162.65 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -75.15 135.03 41.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -96.65 46.28 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 39.47 36.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.92 175.09 10.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.41 106.08 52.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.759 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.0 166.3 29.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 155.61 38.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.82 HD21 ' CG ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -128.75 156.86 42.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 25.2 m-85 -148.16 104.45 3.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.41 123.27 22.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD21 HD12 ' A' ' 14' ' ' LEU . 22.8 mt -82.51 75.1 9.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' LEU . 17.1 mt-30 -56.98 153.27 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.2 mt -39.37 157.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER 86.39 162.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.786 HG23 ' OD1' ' A' ' 63' ' ' ASP . 13.4 p -70.91 142.28 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.865 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.2 m -126.46 103.99 7.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -75.92 128.97 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.709 HG22 ' HB ' ' A' ' 50' ' ' ILE . 48.3 t -103.78 167.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.66 -140.56 11.86 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 52' ' ' LEU . 68.0 p -115.49 -3.48 12.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 0.805 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 155.33 18.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.9 134.88 54.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -120.53 -38.18 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . 18.4 m-20 -176.77 126.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.541 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 3.6 m-20 -40.48 105.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 3.6 m-20 153.4 -21.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.865 ' HA ' HG23 ' A' ' 38' ' ' THR . 5.6 p -81.61 178.87 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.709 ' HB ' HG22 ' A' ' 40' ' ' VAL . 91.4 mt -98.75 145.95 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -135.13 98.93 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.659 ' O ' HG22 ' A' ' 42' ' ' THR . 30.6 mt -104.27 148.49 26.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -130.31 112.57 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.67 161.03 30.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.42 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 119.8 4.38 11.66 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm -85.23 152.71 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.1 mm-40 -113.9 177.74 1.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.1 Cg_endo -75.03 -60.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -98.45 75.61 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.564 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.6 t60 -64.0 -71.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.585 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' THR . 24.0 p -149.09 173.5 13.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.786 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -130.46 123.52 29.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -93.33 117.24 29.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -113.73 121.02 42.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.429 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -91.66 106.71 18.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.48 105.91 12.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 67.64 23.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.77 -28.55 14.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.1 t -75.81 149.89 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.523 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 54.2 t -128.18 146.62 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 94' ' ' MET . 25.6 p -134.95 123.3 23.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.535 HG13 HD13 ' A' ' 89' ' ' ILE . 3.0 p -73.55 125.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 62.5 m -124.78 104.92 30.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.03 117.59 4.96 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -115.51 27.98 8.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.66 122.78 25.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.416 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -80.13 61.4 3.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.069 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.3 m-20 170.6 -32.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -59.74 123.35 16.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 65.6 mt-10 -98.38 117.62 33.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -127.18 108.49 10.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 43.3 m-85 -108.76 119.81 40.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 97.2 t -88.2 91.41 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.1 t0 81.97 28.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.97 10.79 66.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 2.9 mt-30 -118.94 115.84 25.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.4 ttt180 -70.17 152.68 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.535 HD13 HG13 ' A' ' 73' ' ' VAL . 7.4 pt -114.47 171.56 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.12 15.22 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 89' ' ' ILE . 5.0 pt-20 179.22 -176.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.1 m -57.44 103.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.431 ' O ' HG12 ' A' ' 73' ' ' VAL . 5.4 m -111.57 132.05 54.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.447 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.649 ' HA ' HG22 ' A' ' 72' ' ' THR . 2.5 ttp -62.08 144.71 54.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.527 HD11 ' HB ' ' A' ' 73' ' ' VAL . 51.6 mt -110.24 147.48 33.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.421 ' HG3' ' CE ' ' A' ' 94' ' ' MET . 5.6 mt-30 -127.28 151.79 48.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -63.48 128.26 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.7 -28.94 13.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.91 142.84 33.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -90.95 161.18 15.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.549 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -140.72 106.87 5.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.452 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 25.1 tt0 -99.83 109.29 21.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 98.3 m-85 -100.73 107.27 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 61.8 37.29 94.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.452 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 7.2 t 36.18 53.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.43 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 p -146.84 -55.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -106.29 110.81 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 17' ' ' LEU . 25.4 t -103.77 132.25 50.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.6 m-85 -132.08 164.32 26.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.603 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -125.75 117.65 23.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CE2' ' HB ' ' A' ' 71' ' ' VAL . 3.3 t80 -79.14 138.13 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.838 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -136.24 154.92 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.57 102.26 9.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.464 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 -7.76 19.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 p -62.56 -34.88 77.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 113.36 140.09 7.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.12 15.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.3 p 176.86 97.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 m -127.37 142.27 51.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -123.92 92.14 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.26 107.24 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.04 -162.31 11.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 m -74.76 -179.92 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.018 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.03 -70.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.97 120.21 0.53 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -20.38 16.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.802 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.7 10.71 14.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 115' ' ' SER . 7.8 mtmt -140.55 51.41 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 11' ' ' LEU . 16.5 mt -109.17 134.59 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -75.03 137.45 21.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.46 1.769 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.652 ' OH ' HG11 ' A' ' 112' ' ' VAL . 49.9 p90 -132.96 166.05 23.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 111' ' ' PHE . 15.1 mt -118.18 112.0 19.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.366 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 15' ' ' VAL . 7.2 p -92.63 101.89 13.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.7 tt0 -42.48 134.41 3.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 16' ' ' GLU . 11.6 mt -120.03 164.12 16.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.69 172.23 0.54 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.5 8.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.7 10.13 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.66 44.24 40.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 p -124.06 163.65 21.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.78 114.06 25.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.6 m -57.42 169.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -88.5 43.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -164.89 172.61 12.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' CG ' ' O ' ' A' ' 27' ' ' LYS . 18.3 pttt -66.23 114.19 15.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 155.28 42.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HD3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.68 139.24 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -120.78 141.89 50.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE2' ' HD3' ' A' ' 29' ' ' LYS . 13.9 m-85 -135.03 95.9 3.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.01 126.25 29.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.673 ' CD2' HD11 ' A' ' 50' ' ' ILE . 39.2 mt -88.74 95.43 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -66.08 -179.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -69.67 160.15 32.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 86.1 160.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.492 HG22 ' HB2' ' A' ' 63' ' ' ASP . 14.5 p -67.46 125.03 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 49' ' ' SER . 15.7 m -113.95 108.33 16.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.09 123.9 29.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG22 ' HB ' ' A' ' 50' ' ' ILE . 40.0 t -97.05 150.2 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.69 -151.51 23.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 52' ' ' LEU . 73.4 p -102.16 -19.08 15.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 59' ' ' PRO . 6.1 mm-40 -94.16 156.28 16.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.33 108.13 18.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.54 -56.56 2.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -87.22 171.44 10.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -52.11 65.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -112.4 63.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.569 ' HA ' HG23 ' A' ' 38' ' ' THR . 2.4 p -92.68 143.53 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 33' ' ' LEU . 96.3 mt -70.17 130.45 34.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.571 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 51.0 tt0 -120.07 106.14 11.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' THR . 12.4 mt -110.97 162.08 15.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 16.7 m-85 -137.1 120.25 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.72 155.94 27.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 93.69 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.781 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.07 -0.62 7.13 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 7.8 mm -82.28 152.47 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.455 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -113.1 175.72 1.75 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.99 -54.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -103.76 77.39 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.645 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.433 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -67.38 -61.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.3 p -165.63 173.31 10.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 108.281 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.492 ' HB2' HG22 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -121.64 147.02 46.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 40' ' ' VAL . 2.3 mt -121.95 102.91 8.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.136 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.2 m -96.6 118.11 32.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -94.54 106.99 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 mmt -118.45 100.65 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.32 19.53 10.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.48 -18.58 44.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.1 t -75.71 134.73 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.616 HG12 HD12 ' A' ' 95' ' ' LEU . 25.5 t -131.69 137.67 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.955 HG22 ' HA ' ' A' ' 94' ' ' MET . 13.6 p -135.45 119.89 18.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.406 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.571 HG13 HD13 ' A' ' 89' ' ' ILE . 7.7 p -69.14 130.47 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.517 ' OG1' HG23 ' A' ' 92' ' ' THR . 95.1 m -129.77 104.77 17.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.67 8.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -124.25 29.37 6.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.88 119.44 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.62 58.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t70 177.36 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -65.89 119.72 11.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.601 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.1 mt-10 -90.11 127.43 36.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.417 HG21 HG21 ' A' ' 73' ' ' VAL . 85.7 m -128.21 101.67 6.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 87.2 m-85 -105.63 120.4 41.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.543 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 67.6 t -97.94 92.11 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 18.6 t0 76.83 39.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.66 29.6 57.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.0 mt-30 -140.31 113.38 8.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 0.9 OUTLIER -70.08 151.54 45.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.571 HD13 HG13 ' A' ' 73' ' ' VAL . 6.5 pt -119.66 151.65 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 t -114.82 -15.78 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.009 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -143.01 -178.18 5.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' OG1' ' A' ' 74' ' ' THR . 99.8 m -55.45 107.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.466 ' O ' HG12 ' A' ' 73' ' ' VAL . 13.3 m -108.94 123.28 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.955 ' HA ' HG22 ' A' ' 72' ' ' THR . 5.3 ttm -54.39 144.86 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.616 HD12 HG12 ' A' ' 71' ' ' VAL . 22.2 mt -106.07 154.32 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -138.44 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -74.17 128.12 34.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 99' ' ' MET . . . 100.28 -35.21 4.95 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.543 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 2.3 ttt -36.94 144.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 0.795 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -98.98 123.78 43.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -98.69 115.49 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.53 HE21 HG22 ' A' ' 105' ' ' THR . 9.0 tt0 -108.54 107.98 18.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 85.4 m-85 -109.28 83.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 85.53 31.24 22.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.106 . . . . 0.0 111.034 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.53 HG22 HE21 ' A' ' 102' ' ' GLN . 7.1 p 37.94 32.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 104' ' ' GLY . 1.4 t -126.4 -43.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.956 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 31.8 t -95.69 133.88 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -129.99 164.94 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -129.61 115.37 17.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.3 t80 -82.66 131.68 35.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.652 HG11 ' OH ' ' A' ' 13' ' ' TYR . 8.9 t -130.52 137.23 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -106.39 105.15 53.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.409 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -3.82 14.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.546 1.813 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.46 ' HA ' ' CG ' ' A' ' 10' ' ' LYS . 43.2 t -66.17 -54.96 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.28 144.04 13.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 93.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.6 t -114.99 136.02 53.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.018 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.87 114.23 8.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -110.16 -58.26 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.51 110.87 11.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.67 -133.71 1.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -121.39 147.99 44.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 109.967 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 178.72 85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.44 84.49 0.89 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.08 -4.9 41.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -103.08 35.69 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 72.2 mt -97.99 148.66 34.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.863 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 26.3 p90 -141.02 166.47 24.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' CA ' ' A' ' 111' ' ' PHE . 5.9 mt -111.08 110.28 20.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.676 HG23 HD12 ' A' ' 30' ' ' LEU . 7.0 p -93.92 103.44 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -44.33 128.27 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.56 161.79 15.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.461 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -58.08 175.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.536 1.808 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -19.21 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.28 36.06 4.78 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.1 m -124.16 163.84 20.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 110.045 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.92 97.65 10.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.7 p -53.59 174.47 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -87.13 54.77 3.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.78 -178.57 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.28 107.86 54.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.96 162.84 36.53 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.09 44.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.78 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.1 142.84 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 50.7 m-85 -133.96 100.28 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -71.47 125.91 28.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -86.27 79.39 9.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' LEU . 52.8 mt-30 -61.43 156.54 19.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' SER . 11.8 mt -39.63 156.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.31 159.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.9 p -67.4 150.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.9 m -135.21 104.77 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 131.47 38.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 41' ' ' GLY . 13.6 t -107.42 165.59 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 134.51 -140.47 11.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.753 HG22 ' O ' ' A' ' 52' ' ' LEU . 80.7 p -117.25 -11.12 10.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -74.77 157.7 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -107.45 116.78 32.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 79.6 m-85 -117.49 -38.02 3.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' SER . 1.6 t70 -172.95 145.58 1.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -46.97 -31.8 3.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -69.74 -41.59 75.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.57 ' HA ' HG23 ' A' ' 38' ' ' THR . 47.2 m -53.29 153.02 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.3 mt -87.36 150.34 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -134.92 98.6 4.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.753 ' O ' HG22 ' A' ' 42' ' ' THR . 84.6 mt -104.69 140.06 38.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -118.31 122.27 42.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.22 155.85 26.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.449 1.762 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.39 -7.25 5.0 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 HG22 HG23 ' A' ' 42' ' ' THR . 6.4 mm -72.59 147.49 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -107.67 176.02 1.78 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.94 -55.01 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.473 ' CD2' ' HB2' ' A' ' 76' ' ' ARG . 8.9 t-160 -101.85 76.44 1.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.544 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -67.45 -68.69 0.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.639 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -156.64 177.5 11.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -128.94 145.32 51.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 mt -118.39 109.21 15.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.5 m -107.9 124.95 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.42 ' HA ' HG22 ' A' ' 71' ' ' VAL . 49.3 t-20 -90.77 111.0 22.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.4 mmt -118.23 102.28 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.34 26.94 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.66 -27.5 19.9 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.6 t -76.47 145.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 66' ' ' ASN . 54.5 t -130.41 145.03 36.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 94' ' ' MET . 24.7 p -133.43 119.14 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.408 1.068 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.815 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.2 p -71.45 124.59 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.8 m -124.9 103.94 30.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.3 Cg_endo -74.99 121.31 6.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.462 1.77 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 30.0 mmt180 -116.92 35.28 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.51 144.19 49.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.428 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 7.9 ptp -96.15 59.8 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 78' ' ' MET . 11.0 m-20 164.67 -27.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.544 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -59.33 104.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.2 mp0 -83.28 118.13 23.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.436 ' OG1' ' NE2' ' A' ' 61' ' ' HIS . 97.1 m -125.19 102.15 7.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CD1' ' HB2' ' A' ' 88' ' ' ARG . 33.7 m-85 -101.46 113.34 26.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 70.0 t -85.98 91.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 3.3 t0 77.46 30.97 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.91 60.64 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -123.01 112.65 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HB2' ' CD1' ' A' ' 83' ' ' TYR . 5.1 ttt-85 -74.95 127.6 33.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.729 HD13 HG13 ' A' ' 73' ' ' VAL . 9.0 pt -91.82 166.51 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 11.69 3.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 89' ' ' ILE . 3.8 pt-20 179.17 -175.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 72' ' ' THR . 25.7 m -50.2 102.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.368 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.503 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.2 m -114.37 120.32 39.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.502 ' HA ' HG22 ' A' ' 72' ' ' THR . 43.9 ttm -56.18 138.35 50.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.815 HD11 ' HB ' ' A' ' 73' ' ' VAL . 67.6 mt -105.7 149.42 26.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -130.85 136.3 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -45.82 131.27 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.49 -36.18 4.52 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.407 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -52.18 141.97 17.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -90.27 165.11 14.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -143.67 110.75 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.458 ' HB2' HG22 ' A' ' 108' ' ' VAL . 45.0 tt0 -105.21 106.21 16.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.407 ' O ' HD11 ' A' ' 57' ' ' ILE . 97.0 m-85 -93.12 103.49 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 89.91 -93.72 1.91 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER 177.23 57.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.388 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.5 t -174.04 -39.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -99.33 123.37 43.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.594 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.458 HG22 ' HB2' ' A' ' 102' ' ' GLN . 4.6 t -129.58 118.28 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -113.94 174.17 6.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -133.79 117.74 17.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.7 t80 -79.84 141.68 35.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.863 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -137.89 154.41 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -135.24 98.73 12.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.472 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.05 -2.21 12.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -38.09 86.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.956 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 81.85 140.79 3.32 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 175.53 11.12 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.1 t -148.21 -61.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.4 t -72.14 -57.54 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 p -124.81 144.59 50.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.7 155.04 18.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.0 -111.51 3.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 p -139.61 161.86 36.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -118.03 101.12 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.944 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.13 93.71 0.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -45.21 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -71.26 -5.28 31.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -105.91 39.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 67.3 mt -108.47 142.31 25.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.542 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.2 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.709 ' OH ' HG11 ' A' ' 112' ' ' VAL . 48.1 p90 -129.11 168.29 16.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 111' ' ' PHE . 17.0 mt -117.12 111.08 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 15' ' ' VAL . 8.0 p -92.19 103.7 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 20.9 tt0 -46.03 131.65 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.3 mt -116.94 161.9 18.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.456 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -49.34 176.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -75.02 -4.54 15.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -112.45 -15.67 13.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 39.24 3.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 t -124.12 164.11 20.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -83.17 104.29 13.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.3 p -53.3 173.19 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.69 49.58 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -175.71 165.27 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -65.68 111.87 7.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 26' ' ' ASP . 18.4 Cg_endo -75.04 157.52 42.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 152.07 46.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -125.48 161.5 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.559 ' CD1' HG23 ' A' ' 50' ' ' ILE . 29.8 m-85 -155.69 97.2 1.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 136.01 46.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.835 ' CD2' HD11 ' A' ' 50' ' ' ILE . 20.6 mt -97.11 79.91 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' A' ' 11' ' ' LEU . 8.8 mt-30 -46.81 154.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 36' ' ' SER . 16.6 mt -50.3 168.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.65 -146.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 t -103.26 135.54 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.618 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.7 m -129.1 94.61 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.7 130.36 36.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.506 HG22 ' HB ' ' A' ' 50' ' ' ILE . 25.0 t -100.48 167.56 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 133.95 -153.6 20.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 52' ' ' LEU . 74.6 p -107.35 18.79 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.42 161.01 19.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' NZ ' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -125.52 104.29 8.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.36 -43.07 15.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.5 OUTLIER -174.9 131.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 4.7 m-20 -40.17 106.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 1.8 m-20 154.79 -23.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.618 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER -88.94 -177.9 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.835 HD11 ' CD2' ' A' ' 33' ' ' LEU . 7.1 mt -107.93 147.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -129.8 98.7 4.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 42' ' ' THR . 95.5 mt -102.9 154.36 19.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -134.21 118.27 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.99 161.9 32.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 127.84 -1.55 6.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 18.7 mm -83.6 152.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.522 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -115.7 179.24 0.82 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.99 -60.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -102.15 76.74 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.427 ' CD2' ' OG1' ' A' ' 82' ' ' THR . 3.1 t60 -61.3 -72.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.1 p -155.15 158.35 38.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.329 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -98.25 151.72 20.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 33' ' ' LEU . 6.3 mt -130.22 90.17 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.7 m -92.5 121.34 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 61.2 t30 -97.52 116.87 30.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 1.063 ' O ' HG12 ' A' ' 70' ' ' VAL . 40.1 mmm -118.81 95.58 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t0 71.39 5.61 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 125.4 -24.37 5.89 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.063 HG12 ' O ' ' A' ' 67' ' ' MET . 13.8 p -73.81 135.69 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.746 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.535 HG12 HD12 ' A' ' 95' ' ' LEU . 25.1 t -127.48 138.99 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.667 HG22 ' HA ' ' A' ' 94' ' ' MET . 3.7 p -129.86 123.33 30.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.661 HG13 HD13 ' A' ' 89' ' ' ILE . 3.0 p -82.13 120.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.6 m -120.34 106.14 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.87 3.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -86.39 -16.78 36.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -128.82 136.77 50.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 ttt -71.32 -41.67 69.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.92 -40.66 66.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 97.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -73.36 112.83 9.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.427 ' OG1' ' CD2' ' A' ' 61' ' ' HIS . 23.0 m -121.2 108.72 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 55.7 m-85 -113.91 121.04 42.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.509 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 59.5 t -97.76 91.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.6 t0 82.4 38.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.98 17.48 80.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -126.85 117.59 22.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.417 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.1 ttt180 -72.44 153.61 41.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.661 HD13 HG13 ' A' ' 73' ' ' VAL . 7.7 pt -120.81 152.37 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -18.2 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -142.56 -175.94 4.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.234 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.424 ' CG2' ' HB ' ' A' ' 72' ' ' THR . 20.0 m -55.8 108.87 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.523 ' O ' HG12 ' A' ' 73' ' ' VAL . 9.4 m -112.64 123.26 49.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.667 ' HA ' HG22 ' A' ' 72' ' ' THR . 10.1 ttp -61.29 140.02 58.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 73' ' ' VAL . 69.2 mt -104.87 149.35 25.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -131.34 169.04 16.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -73.19 130.29 39.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.39 -26.26 25.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.465 ' CE ' HG11 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -59.47 142.5 52.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -88.8 157.53 18.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -133.85 119.59 19.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -116.54 106.44 13.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' A' ' 101' ' ' LEU . 15.0 m-85 -98.6 85.86 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 109.57 -96.57 0.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 177.28 57.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 110.409 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.5 t -175.82 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -99.77 119.8 38.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 24.1 t -120.44 136.75 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 41.6 m-85 -130.43 174.85 9.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HE3' ' CG2' ' A' ' 112' ' ' VAL . 9.4 tttt -139.61 115.76 10.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 2.7 t80 -79.85 136.57 36.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.709 HG11 ' OH ' ' A' ' 13' ' ' TYR . 15.5 t -134.22 151.57 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.32 104.1 43.65 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.497 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.0 m -55.37 -43.49 75.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 102.17 144.47 14.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.96 43.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.81 -59.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.05 79.63 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.54 145.71 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -164.63 165.45 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.37 142.5 13.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.57 161.07 40.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -128.71 93.82 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.948 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.78 118.64 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HA ' HD23 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.03 -10.94 21.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -89.65 35.88 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.332 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.5 28.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 34' ' ' GLN . 0.6 OUTLIER -129.01 154.55 80.4 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.561 ' HB2' ' CE2' ' A' ' 111' ' ' PHE . 18.4 Cg_endo -75.0 134.62 18.03 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.423 1.749 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CD2' HD21 ' A' ' 30' ' ' LEU . 48.2 p90 -128.8 166.42 19.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.806 HD12 HD21 ' A' ' 33' ' ' LEU . 35.6 mt -117.53 110.05 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 15' ' ' VAL . 7.3 p -93.05 106.91 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' O ' HD23 ' A' ' 17' ' ' LEU . 21.7 tt0 -47.84 135.53 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 16' ' ' GLU . 12.0 mt -118.76 163.86 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.442 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -55.45 175.08 0.21 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.5 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -112.02 -14.17 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 38.01 6.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.7 p -123.98 163.56 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -95.53 97.87 10.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -58.75 175.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.956 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -86.82 54.81 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -158.29 -173.36 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.06 109.51 63.32 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.17 42.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -68.46 154.19 42.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -121.46 128.48 52.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.68 ' CD2' HG23 ' A' ' 50' ' ' ILE . 2.9 m-30 -113.54 77.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 4.0 mmt180 -52.39 128.92 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.806 HD21 HD12 ' A' ' 14' ' ' LEU . 18.9 mt -93.0 67.95 4.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.681 ' HA ' HD22 ' A' ' 11' ' ' LEU . 10.3 mt-30 -35.67 147.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 34' ' ' GLN . 6.4 mt -44.47 169.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' LEU . 36.2 t 66.95 -178.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.22 147.69 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 63' ' ' ASP . 46.9 m -137.06 105.92 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' HG2' ' CD2' ' A' ' 45' ' ' PHE . 26.0 mp0 -70.07 140.76 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG22 HD12 ' A' ' 50' ' ' ILE . 43.5 t -123.84 153.99 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 137.73 -146.95 18.9 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.639 HG22 ' O ' ' A' ' 52' ' ' LEU . 57.7 p -110.54 14.59 22.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.54 156.12 23.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -111.55 95.46 5.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CD2' ' HG2' ' A' ' 39' ' ' GLU . 5.5 m-85 -86.06 -58.02 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.79 169.19 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.26 -33.88 73.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.468 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 52.3 m-20 -118.57 59.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.57 176.32 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.68 HG23 ' CD2' ' A' ' 31' ' ' TYR . 80.1 mt -94.55 143.88 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -135.08 99.37 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.639 ' O ' HG22 ' A' ' 42' ' ' THR . 57.4 mt -99.7 151.53 21.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -136.03 114.14 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.9 160.81 31.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 96.94 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.08 3.62 8.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.44 1.088 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 8.6 mm -82.61 152.67 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.512 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -113.61 178.81 0.89 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -75.0 -59.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.464 1.771 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -102.76 77.54 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.593 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.5 t60 -63.53 -68.5 0.34 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.41 ' SG ' HG23 ' A' ' 73' ' ' VAL . 19.6 p -154.83 178.83 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 108.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -134.87 121.49 20.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.477 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -86.31 108.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.5 m -95.0 105.38 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 43.4 t-20 -90.05 110.92 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 1.028 ' O ' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -114.7 96.25 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.16 7.5 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.28 -26.99 5.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.028 HG12 ' O ' ' A' ' 67' ' ' MET . 14.0 p -73.14 126.22 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.523 HG12 HD12 ' A' ' 95' ' ' LEU . 16.0 t -113.91 138.03 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 94' ' ' MET . 51.8 p -131.66 119.66 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.828 HG13 HD13 ' A' ' 89' ' ' ILE . 6.4 p -74.11 117.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.585 ' OG1' HG23 ' A' ' 92' ' ' THR . 44.1 m -115.8 104.33 52.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.449 ' HD3' ' CD1' ' A' ' 89' ' ' ILE . 18.0 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 -116.73 35.15 4.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.48 149.62 52.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 8.7 ptp -98.5 59.82 1.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' MET . 4.3 m-20 162.34 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.569 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -60.62 103.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 3.8 mp0 -84.35 124.63 31.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.735 HG21 HG21 ' A' ' 73' ' ' VAL . 4.1 m -127.94 101.79 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 57.7 m-85 -101.55 115.45 30.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.474 HG12 ' SD ' ' A' ' 99' ' ' MET . 63.1 t -87.88 91.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 22.3 t0 78.27 30.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.37 30.15 22.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 4.7 mt-30 -141.13 110.86 6.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 0.799 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -68.92 144.39 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.828 HD13 HG13 ' A' ' 73' ' ' VAL . 6.4 pt -110.32 156.94 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.1 p -113.99 -21.92 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -142.91 -175.27 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.585 HG23 ' OG1' ' A' ' 74' ' ' THR . 28.4 m -53.85 108.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 m -113.85 122.06 45.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.649 ' HA ' HG22 ' A' ' 72' ' ' THR . 50.9 ttm -59.35 141.08 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.523 HD12 HG12 ' A' ' 71' ' ' VAL . 76.7 mt -104.26 142.71 34.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -121.62 146.72 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 p -57.95 127.52 32.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.84 -36.62 4.24 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.474 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -54.98 147.58 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 111.02 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -90.23 165.0 14.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -135.42 114.62 12.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 8.5 tt0 -113.82 111.64 22.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 92.0 m-85 -111.82 84.91 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.41 31.09 12.08 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.426 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 13.0 p 38.83 33.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.2 m -122.39 -58.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -104.44 122.23 45.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.574 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 17' ' ' LEU . 45.4 t -108.74 139.36 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 101' ' ' LEU . 24.1 m-85 -139.34 160.73 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -124.16 118.36 26.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 4.5 t80 -85.16 133.92 34.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' ' HD3' ' A' ' 110' ' ' LYS . 25.0 t -135.11 144.08 35.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -111.98 103.41 55.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -22.42 14.75 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.4 t -47.01 -50.54 19.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.06 144.14 7.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 70.36 5.27 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.58 142.26 30.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.52 81.75 0.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -125.45 89.3 3.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 0.724 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -174.36 149.12 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.23 75.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.147 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.07 -61.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t 48.5 82.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.57 92.43 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.22 13.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.51 23.22 4.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -157.49 51.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.776 HD13 ' HA ' ' A' ' 34' ' ' GLN . 74.8 mt -107.9 148.25 37.04 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -74.96 140.92 26.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.839 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 47.5 p90 -137.83 168.03 20.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 101' ' ' LEU . 2.9 mt -117.22 118.28 31.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.62 HG23 HD23 ' A' ' 30' ' ' LEU . 9.3 p -102.62 108.03 23.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 23.9 tt0 -47.5 135.58 10.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.4 mt -116.15 163.81 15.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.29 172.06 0.36 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.61 8.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -110.9 -16.15 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.7 32.67 7.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m -124.07 163.58 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.0 96.93 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.36 179.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.9 mtt-85 -90.22 54.76 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -152.05 179.46 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -105.59 105.51 52.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.98 168.68 24.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -67.51 154.81 40.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.745 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.98 154.34 47.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.519 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 25.4 m-85 -150.15 106.34 3.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 123.49 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.4 mt -83.66 78.93 9.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.776 ' HA ' HD13 ' A' ' 11' ' ' LEU . 28.6 mt-30 -60.09 159.39 9.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' SER . 9.0 mt -41.26 156.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 85.78 161.88 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 14.7 p -68.34 145.56 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 m -125.41 104.49 8.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG2' ' NE2' ' A' ' 60' ' ' HIS . 40.2 mp0 -77.11 121.93 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' HB ' ' A' ' 50' ' ' ILE . 90.3 t -101.31 153.61 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.73 -148.39 20.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 52' ' ' LEU . 66.8 p -110.34 -13.24 14.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 162.07 27.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -113.63 101.22 9.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.414 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 5.5 m-85 -90.9 -38.1 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.24 -172.02 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.91 -31.92 27.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -100.97 60.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.0 m -128.91 151.43 49.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' A' ' 40' ' ' VAL . 85.6 mt -82.12 127.0 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -116.57 98.76 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.878 ' O ' HG22 ' A' ' 42' ' ' THR . 74.4 mt -97.92 143.98 27.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 10.5 m-85 -133.64 113.83 12.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.39 163.72 32.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.15 2.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.11 42.32 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.469 HG22 HG23 ' A' ' 42' ' ' THR . 1.6 mm -119.75 152.58 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.486 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 2.6 mm-40 -113.38 177.58 1.15 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -74.99 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.788 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 76' ' ' ARG . 2.2 t-160 -101.68 76.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.631 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.597 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 4.4 t60 -64.71 -70.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 74' ' ' THR . 17.1 p -154.73 174.82 14.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -124.46 152.44 43.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 mt -124.81 102.46 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 79.0 m -99.69 120.98 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.521 ' HA ' HG22 ' A' ' 71' ' ' VAL . 63.6 t30 -92.96 106.85 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.3 mmt -119.09 107.71 13.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 63.98 20.51 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.66 -27.3 21.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -75.71 141.86 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 66' ' ' ASN . 49.3 t -129.38 146.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.5 p -134.95 119.59 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.427 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.852 ' HB ' HD11 ' A' ' 95' ' ' LEU . 6.6 p -71.48 126.74 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 62' ' ' CYS . 52.5 m -128.0 108.04 20.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 123.22 7.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HG3' ' CD2' ' A' ' 60' ' ' HIS . 17.8 mmm180 -88.34 -16.11 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.4 m -132.79 135.97 46.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -41.48 71.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -33.9 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.597 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -68.18 99.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 4.1 mp0 -71.49 116.76 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.6 m -127.19 108.66 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 35.5 m-85 -113.59 120.1 39.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.496 HG12 ' SD ' ' A' ' 99' ' ' MET . 93.9 t -95.12 91.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 0.9 OUTLIER 80.57 38.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.14 12.96 83.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 3.3 mt-30 -120.99 118.21 29.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.552 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 1.7 ttt180 -74.54 152.92 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.498 HD13 HG13 ' A' ' 73' ' ' VAL . 12.7 pt -117.13 174.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.99 18.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.04 -174.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.528 HG22 ' HB ' ' A' ' 72' ' ' THR . 30.7 m -53.72 104.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -113.56 123.4 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.676 ' HA ' HG22 ' A' ' 72' ' ' THR . 44.9 ttm -53.64 144.19 18.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.852 HD11 ' HB ' ' A' ' 73' ' ' VAL . 82.7 mt -116.23 142.4 46.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -124.18 137.27 54.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -45.75 128.79 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.88 -40.35 2.5 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.496 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -43.82 143.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -90.09 164.95 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.529 ' HB3' ' CE2' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -145.85 108.89 4.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.416 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 19.9 tt0 -98.27 115.88 29.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 101' ' ' LEU . 97.9 m-85 -110.01 102.73 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 74.59 36.62 48.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.594 ' O ' HG23 ' A' ' 105' ' ' THR . 10.0 t 35.88 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.5 t -149.24 -46.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.425 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 30.3 m-70 -100.32 105.05 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.52 129.7 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -129.77 168.44 16.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.618 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -128.6 116.27 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.8 t80 -79.62 137.96 37.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.839 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.89 156.65 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -136.79 95.61 12.26 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.521 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.97 0.53 8.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -38.87 88.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 112.62 138.4 7.24 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 118' ' ' SER . 18.3 Cg_endo -74.97 152.67 41.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 117' ' ' PRO . 3.6 m 50.76 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.0 m -160.12 -56.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.452 1.095 . . . . 0.0 111.05 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -147.29 148.89 31.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 0.733 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -73.18 108.88 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.34 -147.55 18.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 m -115.31 150.97 35.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -124.4 98.12 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.021 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.05 70.11 0.51 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -17.43 19.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.88 2.56 37.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.23 49.27 2.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 34' ' ' GLN . 21.9 mt -100.72 154.39 37.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.96 141.63 27.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.875 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 42.7 p90 -138.71 166.66 23.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' CA ' ' A' ' 111' ' ' PHE . 2.7 mt -116.5 123.02 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.9 p -107.47 102.21 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 30.6 tt0 -38.75 137.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 16' ' ' GLU . 9.2 mt -118.12 167.49 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.0 171.25 5.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.47 11.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.59 2.01 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 45.01 11.74 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -121.1 152.38 38.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' HB3' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -129.26 63.09 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.548 ' O ' ' CB ' ' A' ' 25' ' ' ARG . 1.6 p -162.16 121.55 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' CB ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER 153.58 -20.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.88 -163.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 106.62 58.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.97 158.91 42.03 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.31 155.55 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.74 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -129.85 146.1 51.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.514 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 35.8 m-85 -140.37 102.76 4.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -73.04 135.88 44.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 64' ' ' LEU . 39.1 mt -97.41 80.53 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.6 ' HA ' HD13 ' A' ' 11' ' ' LEU . 32.6 mt-30 -64.65 155.85 32.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 36' ' ' SER . 8.1 mt -50.66 110.16 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.0 OUTLIER 156.35 -174.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.665 HG12 ' OE2' ' A' ' 39' ' ' GLU . 2.1 t -100.57 109.57 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.62 HG23 ' HA ' ' A' ' 49' ' ' SER . 19.3 m -104.55 108.26 19.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.665 ' OE2' HG12 ' A' ' 37' ' ' VAL . 1.4 mp0 -86.35 126.75 34.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG22 ' HB ' ' A' ' 50' ' ' ILE . 59.4 t -98.06 147.09 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.29 -139.04 8.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 52' ' ' LEU . 81.0 p -117.69 18.93 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.764 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -118.39 170.46 8.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -125.08 138.52 54.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -136.22 -60.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.58 176.37 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -70.31 -42.39 72.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -117.05 65.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.62 ' HA ' HG23 ' A' ' 38' ' ' THR . 36.6 p -92.61 171.58 8.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.066 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.547 ' HB ' HG22 ' A' ' 40' ' ' VAL . 96.4 mt -100.18 117.29 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.486 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 39.0 tt0 -118.22 102.24 8.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.626 ' O ' HG22 ' A' ' 42' ' ' THR . 9.4 mt -108.6 165.82 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 51' ' ' GLN . 22.6 m-85 -139.91 122.29 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.57 159.49 30.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 94.03 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.475 1.777 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 125.78 0.37 7.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.56 1.163 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 16.4 mm -81.07 152.74 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -115.11 178.76 0.89 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -75.01 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.433 ' NE2' ' OD2' ' A' ' 63' ' ' ASP . 7.1 t-160 -100.43 76.7 1.87 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.648 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.54 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 3.5 t60 -63.12 -62.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.583 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 p -163.95 168.97 18.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' OD2' ' NE2' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -117.86 137.86 52.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.519 ' HB3' HD13 ' A' ' 33' ' ' LEU . 4.9 mt -113.27 91.89 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.513 ' O ' ' CE ' ' A' ' 67' ' ' MET . 79.7 m -92.95 132.5 37.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' ND2' HD23 ' A' ' 35' ' ' LEU . 38.1 t-20 -103.1 110.69 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.85 103.12 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.474 ' O ' HG23 ' A' ' 70' ' ' VAL . 16.5 m-20 60.84 48.91 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.24 30.05 76.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 68' ' ' ASP . 21.8 t -127.67 129.64 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.243 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.477 HG12 HD12 ' A' ' 95' ' ' LEU . 42.0 t -122.37 140.15 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.92 HG22 ' HA ' ' A' ' 94' ' ' MET . 5.7 p -137.99 118.76 14.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.685 ' HB ' HD11 ' A' ' 95' ' ' LEU . 7.2 p -68.29 122.98 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.517 ' OG1' HG23 ' A' ' 92' ' ' THR . 53.7 m -124.74 106.17 29.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HD3' HD11 ' A' ' 89' ' ' ILE . 18.2 Cg_endo -75.06 127.03 10.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -125.23 22.8 7.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.9 118.5 18.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.5 64.36 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t70 174.19 -34.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -64.51 112.69 3.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.572 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.4 mt-10 -85.15 120.19 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.54 HG21 HG21 ' A' ' 73' ' ' VAL . 92.2 m -121.67 109.89 15.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 79.7 m-85 -114.0 117.63 31.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.547 HG12 ' SD ' ' A' ' 99' ' ' MET . 98.2 t -92.61 91.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 5.5 t0 79.58 35.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.43 12.31 80.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -120.5 116.5 25.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.445 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 2.3 ttt180 -71.88 152.6 42.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.651 HD13 HG13 ' A' ' 73' ' ' VAL . 6.7 pt -114.13 170.73 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 m -139.36 13.28 2.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 89' ' ' ILE . 3.8 pt-20 176.74 -174.35 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' OG1' ' A' ' 74' ' ' THR . 17.3 m -54.29 101.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.5 m -110.26 118.92 37.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.373 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.92 ' HA ' HG22 ' A' ' 72' ' ' THR . 30.7 ttm -52.93 141.9 20.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.685 HD11 ' HB ' ' A' ' 73' ' ' VAL . 74.4 mt -109.36 146.46 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -125.25 144.95 50.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.2 p -54.34 127.91 29.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.51 -42.21 1.98 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.547 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -42.96 148.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.964 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -88.98 160.0 17.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -132.59 114.4 14.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.232 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -107.13 123.16 47.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.726 ' CE1' HD12 ' A' ' 101' ' ' LEU . 18.4 m-85 -118.89 78.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 86.69 34.6 11.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.4 p 38.92 50.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 t -146.24 -49.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -108.83 97.7 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 40.8 t -93.43 132.62 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 10.5 m-85 -132.16 173.72 10.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.617 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -131.78 115.5 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.1 t80 -80.54 142.23 34.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.875 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 1.1 m -134.94 157.65 40.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -136.23 93.02 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.528 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.95 -10.82 21.47 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 t -60.68 -37.64 82.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.049 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.02 138.61 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 83.86 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -59.06 2.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.08 116.06 1.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -145.12 85.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 110.016 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p 55.51 170.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.43 -162.41 34.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.475 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -39.99 127.76 2.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 0.0 110.011 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -137.95 58.13 1.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.83 92.0 0.86 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -17.98 19.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.85 6.55 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.89 46.3 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 27.5 mt -118.28 137.16 24.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.541 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.2 Cg_endo -74.98 140.14 25.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.92 ' C ' HD13 ' A' ' 14' ' ' LEU . 49.1 p90 -143.5 165.15 28.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.92 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -113.03 130.11 56.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG23 HD23 ' A' ' 30' ' ' LEU . 9.2 p -110.49 119.13 58.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.517 ' O ' HD23 ' A' ' 17' ' ' LEU . 14.9 tt0 -50.74 129.36 22.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD11 ' HB2' ' A' ' 110' ' ' LYS . 10.6 mt -117.98 162.53 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 170.46 0.48 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -1.07 10.75 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.5 1.789 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -113.17 -15.88 12.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.97 47.26 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 t -123.21 162.13 23.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.766 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.09 116.0 25.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.26 -158.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 64.21 73.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t0 52.09 179.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -66.29 113.12 11.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.63 32.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -66.94 152.43 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.383 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.22 150.49 51.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 74.3 m-85 -143.77 111.47 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 141.59 28.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD13 ' HB3' ' A' ' 64' ' ' LEU . 68.0 mt -99.22 81.27 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -58.85 157.96 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.3 mt -42.73 163.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER 85.31 -149.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.762 HG22 ' OG1' ' A' ' 65' ' ' THR . 61.7 t -112.82 156.83 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.643 HG23 ' HA ' ' A' ' 49' ' ' SER . 15.3 m -138.64 99.29 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 28.5 mp0 -77.49 118.34 19.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 41' ' ' GLY . 23.8 t -97.29 162.87 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 136.09 -129.72 5.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 52' ' ' LEU . 71.1 p -125.42 6.06 7.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.66 149.99 33.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -106.37 111.06 23.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -103.94 -72.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.37 -167.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.26 -37.76 13.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -113.58 60.2 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.643 ' HA ' HG23 ' A' ' 38' ' ' THR . 63.2 p -101.51 153.07 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.95 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.624 HG22 ' CD2' ' A' ' 52' ' ' LEU . 30.5 mt -88.03 126.32 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.504 ' C ' HD13 ' A' ' 52' ' ' LEU . 53.0 tt0 -119.87 99.31 6.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.624 ' CD2' HG22 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -102.64 170.85 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 51' ' ' GLN . 9.7 m-85 -146.06 115.45 7.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.75 164.47 34.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.575 1.172 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.68 2.77 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.433 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 109.15 19.23 8.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -102.54 152.41 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.531 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 1.6 mm-40 -118.6 179.97 0.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.531 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.5 Cg_endo -75.03 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.418 ' NE2' ' HG2' ' A' ' 39' ' ' GLU . 6.5 t-160 -101.29 75.32 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 4.9 t60 -60.25 -69.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.562 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.4 p -153.56 167.79 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -114.67 140.02 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.733 ' HB3' HD13 ' A' ' 33' ' ' LEU . 6.0 mt -117.27 90.82 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.762 ' OG1' HG22 ' A' ' 37' ' ' VAL . 31.4 m -94.66 150.19 20.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -117.95 106.08 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 65' ' ' THR . 66.2 mmm -119.39 97.49 5.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 70' ' ' VAL . 5.5 t70 67.56 54.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.34 20.33 50.35 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 68' ' ' ASP . 21.2 t -115.84 138.14 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.541 HG21 ' HG2' ' A' ' 12' ' ' PRO . 66.9 t -135.74 137.17 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.818 HG22 ' HA ' ' A' ' 94' ' ' MET . 22.5 p -137.33 119.21 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.684 HG13 HD13 ' A' ' 89' ' ' ILE . 2.6 p -67.1 117.03 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.451 ' OG1' HG23 ' A' ' 92' ' ' THR . 50.4 m -116.76 107.2 46.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.21 -22.28 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 m -126.93 132.43 50.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.8 mtt -68.51 -35.07 76.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.33 -37.62 81.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -67.45 98.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.544 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.3 mp0 -66.73 119.54 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -127.08 104.59 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 42.1 m-85 -106.67 115.85 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.619 HG21 HG11 ' A' ' 73' ' ' VAL . 50.1 t -94.56 91.93 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 6.0 t70 80.58 35.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.54 26.33 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' TYR . 5.0 mt-30 -136.96 116.4 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 110.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HB2' ' CE1' ' A' ' 83' ' ' TYR . 4.9 ttt-85 -71.32 133.27 45.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.684 HD13 HG13 ' A' ' 73' ' ' VAL . 10.6 pt -101.37 153.8 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -114.24 -18.92 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -143.26 -176.24 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' OG1' ' A' ' 74' ' ' THR . 78.6 m -54.4 105.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.0 m -108.08 133.94 51.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.391 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.818 ' HA ' HG22 ' A' ' 72' ' ' THR . 33.4 ttm -67.41 150.92 48.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 101' ' ' LEU . 38.8 mt -109.87 135.42 50.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -123.9 139.82 53.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 111' ' ' PHE . 4.7 p -45.76 128.54 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.038 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.27 -40.37 2.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.618 ' SD ' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -44.86 143.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 111.019 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.0 mtm180 -97.56 134.17 41.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.623 HD23 ' HE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -109.32 107.14 17.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -106.92 122.13 45.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.623 ' HE1' HD23 ' A' ' 101' ' ' LEU . 3.6 m-30 -109.65 84.57 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.422 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 104.92 -92.24 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 176.94 57.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 110.381 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.1 p -170.38 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -100.2 112.41 24.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.4 t -124.8 118.88 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.522 ' CB ' ' HB3' ' A' ' 14' ' ' LEU . 53.8 m-85 -119.29 158.64 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 17' ' ' LEU . 13.1 tttt -111.98 117.32 32.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.484 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.4 t80 -77.99 126.64 31.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.492 ' CG2' ' HE3' ' A' ' 110' ' ' LYS . 24.2 t -130.04 146.08 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.75 101.84 50.51 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.515 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 -3.9 14.6 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.7 m -64.2 -42.04 96.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.45 144.06 7.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 81.53 2.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.792 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.1 t 59.35 82.89 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 t -43.45 132.23 4.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.021 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -139.18 -57.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.984 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -39.67 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.07 172.31 44.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.81 167.41 22.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -154.98 100.68 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.94 99.87 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.569 1.168 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.82 13.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.37 15.36 7.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -142.34 49.25 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 31.0 mt -105.44 152.56 39.96 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.05 140.86 25.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.869 ' CE1' HG11 ' A' ' 112' ' ' VAL . 49.4 p90 -139.6 166.91 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD23 ' HA ' ' A' ' 111' ' ' PHE . 5.1 mt -114.81 116.38 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.607 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.3 p -101.03 105.71 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 12.7 tt0 -42.04 133.1 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.4 mt -110.33 162.67 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 171.48 0.33 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 0.17 9.26 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.452 1.764 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.22 -12.64 12.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.27 38.32 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m -121.4 154.47 36.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.997 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -100.82 104.37 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 -156.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.38 70.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t0 51.98 179.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -65.29 113.15 10.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.0 168.19 25.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.065 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' CD ' ' OH ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -67.4 152.3 45.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.72 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -131.35 154.6 48.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' OH ' ' CD ' ' A' ' 29' ' ' LYS . 40.6 m-85 -152.97 104.44 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -73.14 134.44 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.2 mt -98.31 77.82 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -68.39 153.7 43.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.9 mt -45.88 109.14 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER 159.55 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.6 p -108.16 111.75 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.956 HG23 ' HA ' ' A' ' 49' ' ' SER . 17.7 m -99.8 101.63 12.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.01 111.02 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG13 HD21 ' A' ' 52' ' ' LEU . 58.9 t -89.36 148.31 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.67 -139.05 7.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.525 HG23 HG22 ' A' ' 57' ' ' ILE . 61.6 p -122.11 1.51 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -111.28 159.61 17.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.23 134.97 45.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -134.98 -55.34 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.71 152.73 22.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -37.56 70.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -110.64 65.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.956 ' HA ' HG23 ' A' ' 38' ' ' THR . 9.0 p -117.0 156.15 27.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.587 HG22 HD21 ' A' ' 52' ' ' LEU . 83.3 mt -91.45 135.26 27.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.107 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.574 ' C ' HD13 ' A' ' 52' ' ' LEU . 4.4 tt0 -128.67 104.09 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -105.85 168.96 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.92 113.2 7.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.38 160.78 30.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 99.51 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.479 1.779 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 121.4 6.05 9.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 42' ' ' THR . 14.4 mm -88.36 152.43 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.509 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -115.88 179.08 0.84 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.2 Cg_endo -75.01 -59.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.784 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -100.66 76.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.559 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.6 t60 -62.55 -70.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.632 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.9 p -153.07 176.31 12.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.281 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -128.84 123.1 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 14' ' ' LEU . 9.2 mt -94.5 99.75 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.505 ' O ' ' CE ' ' A' ' 67' ' ' MET . 92.0 m -101.44 133.32 46.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.434 ' CG ' ' CD2' ' A' ' 35' ' ' LEU . 39.4 t-20 -103.65 110.92 23.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -119.63 99.84 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.928 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.5 m-20 60.54 61.76 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.94 27.64 45.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.098 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 68' ' ' ASP . 4.7 t -127.35 131.03 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.549 HG12 HD12 ' A' ' 95' ' ' LEU . 40.7 t -123.23 139.41 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.745 HG22 ' HA ' ' A' ' 94' ' ' MET . 16.8 p -137.58 118.86 14.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.711 HG13 HD13 ' A' ' 89' ' ' ILE . 5.4 p -69.57 121.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.594 ' OG1' HG23 ' A' ' 92' ' ' THR . 8.9 m -122.08 107.01 35.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -116.81 25.08 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.36 120.45 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.42 62.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.1 t0 172.15 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.559 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.71 111.5 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 12.0 mt-10 -87.64 123.14 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.468 HG21 HG21 ' A' ' 73' ' ' VAL . 43.7 m -122.7 100.69 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 71.6 m-85 -99.59 113.21 25.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 55.6 t -87.95 92.08 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.8 t0 80.16 25.09 0.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.98 22.92 29.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.18 110.7 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.793 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -69.56 143.11 53.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.711 HD13 HG13 ' A' ' 73' ' ' VAL . 22.8 pt -105.06 174.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -140.96 14.29 2.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER 175.71 -175.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.594 HG23 ' OG1' ' A' ' 74' ' ' THR . 9.1 m -52.74 104.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.451 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.8 m -115.94 122.31 44.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.745 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.9 150.56 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 71' ' ' VAL . 68.0 mt -117.43 147.99 42.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -127.73 145.82 50.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 p -56.21 129.52 40.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.04 -36.4 4.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -47.42 139.58 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 2.0 mtm105 -88.9 140.1 29.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.787 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -112.54 114.75 27.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 105' ' ' THR . 36.5 tt0 -119.31 118.13 30.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.787 ' CE1' HD12 ' A' ' 101' ' ' LEU . 11.4 m-85 -112.75 101.3 9.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 70.52 34.0 67.7 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.414 ' HB ' ' NE2' ' A' ' 102' ' ' GLN . 1.9 t 38.75 51.22 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 110.407 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.2 t -137.3 -56.13 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -108.34 106.5 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.619 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 33.7 t -97.49 132.77 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 28.4 m-85 -132.5 177.54 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HE3' HG12 ' A' ' 112' ' ' VAL . 0.0 OUTLIER -138.31 112.65 8.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.695 ' HA ' HD23 ' A' ' 14' ' ' LEU . 2.0 t80 -78.32 142.43 37.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.869 HG11 ' CE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -135.24 156.34 38.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -134.95 93.12 17.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.519 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.94 -4.73 15.85 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -37.83 88.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.47 138.26 0.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 133.88 17.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.02 -56.41 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.3 m 61.28 122.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.01 137.47 32.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.045 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -80.91 170.82 15.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.87 -170.59 24.64 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.6 -176.74 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -157.24 120.32 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.36 127.83 0.96 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.434 1.083 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.96 19.11 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.77 4.61 40.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -124.4 37.09 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 114' ' ' PRO . 11.6 mt -103.94 135.81 19.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.3 Cg_endo -75.02 140.73 25.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.543 1.812 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.829 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 17.5 p90 -134.84 165.13 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD12 HD21 ' A' ' 33' ' ' LEU . 4.7 mt -114.25 108.47 16.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.65 HG12 ' HE2' ' A' ' 110' ' ' LYS . 8.0 p -92.41 113.65 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -51.89 128.53 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.8 mt -109.19 164.08 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.425 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -59.07 173.99 0.42 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.4 Cg_endo -74.93 0.98 8.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -123.08 21.85 9.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.86 47.61 87.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.4 m -122.89 163.57 20.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.55 2.39 41.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 t 49.62 -179.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -99.8 25.35 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.33 -175.82 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -106.83 104.49 51.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.56 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -74.99 164.65 32.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.818 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 155.56 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.797 HD21 ' CG ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -126.98 125.94 42.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE2' ' CE2' ' A' ' 109' ' ' PHE . 13.8 m-30 -112.59 103.3 11.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HA ' ' HB3' ' A' ' 13' ' ' TYR . 4.3 mtt180 -73.53 138.47 45.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.577 ' CD2' HD11 ' A' ' 50' ' ' ILE . 22.2 mt -103.87 102.56 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -69.94 176.7 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.41 160.13 25.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p 87.53 -144.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.731 HG23 ' OD1' ' A' ' 63' ' ' ASP . 1.4 p -113.0 151.34 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.473 HG23 ' HA ' ' A' ' 49' ' ' SER . 23.1 m -133.83 100.91 4.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.446 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.51 128.55 35.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.636 HG22 ' HB ' ' A' ' 50' ' ' ILE . 36.5 t -105.57 168.73 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.523 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 132.22 -149.26 19.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.117 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 52' ' ' LEU . 69.3 p -105.92 -14.16 15.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.408 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.56 157.21 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 132.54 48.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -122.78 -62.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.46 -171.26 2.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.88 -36.2 23.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -118.88 61.19 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.473 ' HA ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -94.9 160.28 14.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.636 ' HB ' HG22 ' A' ' 40' ' ' VAL . 64.5 mt -91.81 124.48 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -113.15 113.66 25.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.754 ' O ' HG22 ' A' ' 42' ' ' THR . 69.7 mt -113.62 151.86 31.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.447 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 38.2 m-85 -134.36 120.22 19.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.93 160.42 32.88 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 101.16 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.767 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 123.01 4.04 8.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.2 mm -89.99 152.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.49 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -114.98 177.57 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -106.12 77.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.579 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 2.9 t60 -65.17 -68.51 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.8 p -156.71 170.99 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.731 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -126.57 126.31 43.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.454 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -91.08 115.78 28.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 36' ' ' SER . 5.3 m -103.47 102.26 12.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.424 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' HA ' HG22 ' A' ' 71' ' ' VAL . 64.8 t30 -85.84 106.17 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -119.42 119.12 33.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.49 17.97 4.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.31 -29.05 11.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.2 t -74.51 140.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 56.1 t -121.75 149.39 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 94' ' ' MET . 5.8 p -137.84 120.05 15.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 93' ' ' THR . 3.1 p -71.3 125.2 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.7 m -124.69 102.63 32.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.455 ' HG3' ' CD1' ' A' ' 89' ' ' ILE . 18.1 Cg_endo -75.0 122.46 7.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -123.83 33.85 5.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.97 140.74 47.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.439 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 6.7 ptp -91.85 61.34 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 78' ' ' MET . 2.4 m-20 163.25 -28.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.579 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -59.84 108.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 1.2 mp0 -86.47 125.3 33.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.447 HG21 HG21 ' A' ' 73' ' ' VAL . 91.2 m -127.59 105.23 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 76.1 m-85 -108.52 117.21 33.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' SD ' ' A' ' 99' ' ' MET . 92.3 t -87.67 92.41 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' VAL . 1.7 m-20 65.37 44.85 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.66 28.66 56.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -136.37 105.9 6.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 110.322 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -68.49 151.01 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.287 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.631 HD13 HG13 ' A' ' 73' ' ' VAL . 6.2 pt -115.41 158.23 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -130.99 7.56 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.21 -178.67 1.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.497 HG22 ' HB ' ' A' ' 72' ' ' THR . 6.7 m -50.06 103.43 0.05 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.638 ' O ' HG12 ' A' ' 73' ' ' VAL . 8.0 m -114.48 125.65 54.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.56 ' HA ' HG22 ' A' ' 72' ' ' THR . 5.1 ttp -62.55 145.43 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.611 HD11 ' HB ' ' A' ' 73' ' ' VAL . 78.4 mt -111.86 146.13 38.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -124.75 142.21 51.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -53.49 128.94 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.75 -17.71 48.9 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.463 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.5 OUTLIER -71.47 143.44 50.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 0.751 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.6 mtm-85 -89.25 163.03 15.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -141.73 107.06 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 108' ' ' VAL . 24.8 tt0 -100.13 106.11 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.539 ' CZ ' HD22 ' A' ' 101' ' ' LEU . 96.9 m-85 -96.45 88.13 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.447 ' O ' ' HB ' ' A' ' 105' ' ' THR . . . 103.18 -93.74 1.05 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.447 ' HB ' ' O ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 176.13 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -177.21 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.447 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 50.2 m-70 -103.06 112.63 25.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.611 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 102' ' ' GLN . 9.6 t -121.95 130.98 74.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.469 ' CE2' ' CE2' ' A' ' 31' ' ' TYR . 9.3 m-85 -122.59 169.21 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.65 ' HE2' HG12 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -127.41 117.53 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 71' ' ' VAL . 5.5 t80 -79.47 140.38 37.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.829 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -139.78 153.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -136.65 102.98 9.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.437 ' HG2' ' N ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.97 -3.17 13.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -68.37 -40.58 81.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 93.38 143.72 13.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.11 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.53 17.87 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.509 1.794 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' GLY . 18.0 m -77.25 100.37 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.73 -76.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 118' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 111.045 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.15 88.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -132.94 126.02 31.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.72 172.44 53.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.17 155.52 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.96 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.684 ' HB2' HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -152.13 74.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.3 75.9 0.23 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.51 6.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.769 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -79.51 1.67 24.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.72 62.6 1.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 91.0 mt -102.52 144.56 28.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 112' ' ' VAL . 18.2 Cg_endo -75.02 144.52 30.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 112' ' ' VAL . 31.9 p90 -141.52 170.59 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.609 ' CD2' HD13 ' A' ' 101' ' ' LEU . 3.1 mt -115.52 119.8 37.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG12 ' HD2' ' A' ' 110' ' ' LYS . 8.5 p -102.53 101.91 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 24.8 tt0 -40.24 136.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 16' ' ' GLU . 10.1 mt -118.72 165.73 13.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.406 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -61.47 173.33 0.79 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.2 Cg_endo -75.0 -2.78 12.99 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.34 -18.38 13.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.43 34.95 5.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.5 p -124.19 163.02 22.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -82.5 111.4 18.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.4 p -60.57 -178.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.24 13.66 28.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -131.93 152.1 51.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 112.56 8.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.3 Cg_endo -75.0 164.62 33.0 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 153.32 43.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.736 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -131.23 149.5 52.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.484 ' O ' ' CB ' ' A' ' 13' ' ' TYR . 43.5 m-85 -144.99 114.97 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -82.14 117.1 22.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.7 mt -77.16 80.06 3.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.59 152.48 26.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' A' ' 6' ' ' SER . 8.0 mt -43.53 164.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.6 m 87.38 -150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 63' ' ' ASP . 21.4 t -111.02 146.31 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.529 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.2 m -132.85 106.68 7.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -78.47 134.6 37.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.611 ' CG2' HD22 ' A' ' 64' ' ' LEU . 23.7 t -112.89 162.27 11.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' LEU . . . 130.06 -138.23 10.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 52' ' ' LEU . 68.6 p -115.67 10.86 15.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HG3' ' CB ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -112.92 167.93 10.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -123.87 129.15 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -131.73 -65.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.23 173.1 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -70.16 -40.04 74.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -118.33 57.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.529 ' HA ' HG23 ' A' ' 38' ' ' THR . 90.7 p -85.72 151.66 23.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' HB ' HG22 ' A' ' 40' ' ' VAL . 50.0 mt -85.2 129.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -120.24 103.45 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 42' ' ' THR . 27.3 mt -104.23 164.86 11.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' O ' ' NE2' ' A' ' 107' ' ' HIS . 22.5 m-85 -143.17 117.7 9.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.21 157.98 28.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.15 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 58' ' ' GLN . . . 134.28 -9.71 4.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.604 HD11 ' O ' ' A' ' 103' ' ' PHE . 12.9 mm -72.25 152.48 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.483 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -112.4 177.14 1.25 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.98 -61.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.459 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 10.9 t-160 -98.66 75.53 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.598 ' CE1' ' HB1' ' A' ' 80' ' ' ALA . 3.2 t60 -64.7 -71.96 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.8 p -148.72 175.43 11.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.266 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 1.4 m-20 -132.81 116.78 16.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.611 HD22 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -84.78 121.25 27.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.4 m -121.79 116.68 24.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.452 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -85.23 106.44 16.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.415 ' O ' ' HB ' ' A' ' 70' ' ' VAL . 85.4 mmm -118.97 98.3 6.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.768 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 65.29 76.94 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 37.85 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.138 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 68' ' ' ASP . 73.4 t -136.61 147.54 27.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.482 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 64.6 t -129.91 147.14 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.791 HG22 ' HA ' ' A' ' 94' ' ' MET . 18.1 p -138.01 120.01 15.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.775 HG13 HD13 ' A' ' 89' ' ' ILE . 3.7 p -74.75 114.33 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.693 ' OG1' HG23 ' A' ' 92' ' ' THR . 91.6 m -113.89 104.49 55.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -124.37 28.35 6.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.13 131.18 48.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.7 60.24 6.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 170.01 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.598 ' HB1' ' CE1' ' A' ' 61' ' ' HIS . . . -63.19 107.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.509 ' HB3' ' CE1' ' A' ' 83' ' ' TYR . 9.7 mp0 -84.1 121.34 27.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 115.82 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 39.4 m-85 -116.49 118.9 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 71.5 t -90.24 91.32 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 2.5 t0 79.05 30.19 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.55 22.67 46.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -128.57 111.03 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 0.791 . . . . 0.0 110.352 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' HB2' ' CE2' ' A' ' 83' ' ' TYR . 9.0 ttt-85 -71.68 131.43 43.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.775 HD13 HG13 ' A' ' 73' ' ' VAL . 9.2 pt -101.55 152.9 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.238 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.02 -17.14 11.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -142.93 -177.51 5.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.693 HG23 ' OG1' ' A' ' 74' ' ' THR . 91.8 m -54.12 105.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.416 ' HB ' HD13 ' A' ' 89' ' ' ILE . 20.4 m -110.35 134.88 51.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.791 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -65.56 150.98 47.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.739 HD11 ' HB ' ' A' ' 73' ' ' VAL . 81.0 mt -118.17 141.14 48.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -125.97 144.3 50.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.0 p -52.22 130.17 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.51 -31.96 8.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.63 142.81 26.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 0.747 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -90.12 163.97 14.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.609 HD13 ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -144.25 106.73 4.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.482 ' OE1' HG22 ' A' ' 105' ' ' THR . 0.7 OUTLIER -95.73 119.8 34.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.604 ' O ' HD11 ' A' ' 57' ' ' ILE . 97.2 m-85 -113.6 93.24 4.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 78.8 36.26 29.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.482 HG22 ' OE1' ' A' ' 102' ' ' GLN . 16.3 p 37.11 42.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -144.78 -46.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.409 ' NE2' ' O ' ' A' ' 53' ' ' PHE . 62.5 m-70 -106.86 98.99 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.612 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.39 123.51 55.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 16' ' ' GLU . 6.7 m-85 -120.83 172.87 7.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.675 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -130.89 117.92 19.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CA ' HD23 ' A' ' 14' ' ' LEU . 2.7 t80 -78.92 135.78 37.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.847 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -131.31 155.12 41.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.19 101.62 9.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.444 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.0 -0.99 10.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.5 t -65.03 -45.2 86.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.82 142.23 7.05 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 93.34 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.442 1.759 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.9 p -46.86 141.36 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.8 t 53.93 100.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -80.46 156.81 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -155.09 138.75 16.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.7 -125.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 p -75.27 -175.08 2.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.032 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m 60.4 67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.68 -85.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HA ' HD11 ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.08 -14.55 20.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.8 4.64 18.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.32 60.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 41.9 mt -105.24 151.1 39.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 112' ' ' VAL . 18.4 Cg_endo -74.97 141.39 26.67 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.807 ' CE2' HG11 ' A' ' 112' ' ' VAL . 49.4 p90 -139.54 168.31 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 111' ' ' PHE . 8.2 mt -118.78 121.39 39.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 28' ' ' PRO . 10.0 p -106.39 105.32 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 5.9 tt0 -41.77 132.49 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.454 ' HB2' HG12 ' A' ' 108' ' ' VAL . 8.1 mt -112.86 161.71 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.423 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -57.36 173.79 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 18.3 Cg_endo -74.99 0.42 8.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.777 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.48 -5.35 15.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.33 36.88 19.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 p -121.96 152.42 39.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 110.031 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.09 112.28 24.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.22 -158.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.02 72.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 t0 47.91 -171.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.62 114.0 32.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.602 ' HG2' HG22 ' A' ' 15' ' ' VAL . 18.4 Cg_endo -75.0 170.95 19.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HD2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -67.94 154.79 40.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.696 HD21 ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -130.94 149.99 52.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CZ ' ' HD2' ' A' ' 29' ' ' LYS . 40.2 m-85 -146.69 105.83 3.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.09 124.75 27.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 mt -87.96 75.77 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' A' ' 11' ' ' LEU . 64.2 mt-30 -63.11 163.53 9.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 36' ' ' SER . 7.6 mt -43.82 165.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 87.27 -155.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.1 p -117.62 143.76 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.632 HG23 ' HA ' ' A' ' 49' ' ' SER . 3.9 m -123.35 103.39 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -75.12 119.07 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG22 ' HB ' ' A' ' 50' ' ' ILE . 92.6 t -95.18 168.05 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.552 ' N ' HG12 ' A' ' 40' ' ' VAL . . . 130.33 -145.86 17.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 52' ' ' LEU . 33.0 p -112.43 -10.92 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.59 150.71 26.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -102.54 113.44 26.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -104.37 -54.38 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.75 173.54 11.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -72.35 -20.91 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -107.88 54.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.632 ' HA ' HG23 ' A' ' 38' ' ' THR . 41.2 m -127.43 151.8 48.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.652 ' HB ' HG22 ' A' ' 40' ' ' VAL . 51.9 mt -87.25 119.28 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' C ' HD13 ' A' ' 52' ' ' LEU . 7.3 tt0 -114.52 98.51 6.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 42' ' ' THR . 0.4 OUTLIER -97.9 167.47 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -146.95 112.35 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.65 160.7 30.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 98.14 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.15 3.42 8.86 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 4.8 mm -84.15 152.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -114.5 177.46 1.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.3 Cg_endo -74.97 -60.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' NE2' ' OD1' ' A' ' 63' ' ' ASP . 12.2 t-160 -99.4 75.94 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.55 ' CD2' ' HB1' ' A' ' 80' ' ' ALA . 2.7 t60 -64.42 -71.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.414 ' HG ' ' HE1' ' A' ' 103' ' ' PHE . 18.9 p -148.09 176.34 10.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.262 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 2.4 m-20 -136.2 122.4 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.515 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -91.54 116.53 28.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.441 ' OG1' HG23 ' A' ' 37' ' ' VAL . 68.9 m -116.42 118.75 33.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -84.88 106.67 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.08 97.88 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 70' ' ' VAL . 3.9 m-20 70.0 59.65 0.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.25 20.08 9.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 68' ' ' ASP . 74.9 t -125.11 146.47 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HB ' ' CE2' ' A' ' 111' ' ' PHE . 53.5 t -127.39 143.45 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.819 HG22 ' HA ' ' A' ' 94' ' ' MET . 17.6 p -136.77 120.16 16.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.605 ' HB ' HD11 ' A' ' 95' ' ' LEU . 4.5 p -69.71 124.37 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.0 m -124.11 105.46 31.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 124.11 8.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 5.4 mmm180 -120.73 19.99 11.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.1 122.24 35.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -79.53 62.32 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.7 m-20 171.41 -33.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.55 ' HB1' ' CD2' ' A' ' 61' ' ' HIS . . . -61.34 121.51 12.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 15.7 mt-10 -91.1 122.02 33.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.5 HG23 ' CE1' ' A' ' 103' ' ' PHE . 91.5 m -128.17 102.89 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 81' ' ' GLU . 36.1 m-85 -107.19 118.88 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.518 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 60.7 t -92.94 92.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.6 t70 83.51 29.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.16 23.01 53.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -133.11 112.45 11.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.19 151.84 46.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 73' ' ' VAL . 27.0 pt -112.96 174.51 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -141.81 17.81 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER 175.53 -174.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.0 m -57.65 102.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 73' ' ' VAL . 2.8 m -110.16 129.21 55.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.819 ' HA ' HG22 ' A' ' 72' ' ' THR . 42.6 ttm -58.37 149.78 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.605 HD11 ' HB ' ' A' ' 73' ' ' VAL . 62.6 mt -117.67 141.39 48.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -119.06 158.63 25.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 p -70.46 120.16 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.01 -31.08 7.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.03 143.85 9.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -88.62 147.1 24.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -121.21 115.62 23.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.366 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.4 ' CG ' ' HA ' ' A' ' 105' ' ' THR . 12.5 tt0 -115.25 111.52 21.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' ILE . 83.2 m-85 -114.07 86.79 2.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 90.46 26.02 24.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.436 1.085 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.4 ' HA ' ' CG ' ' A' ' 102' ' ' GLN . 5.5 t 39.31 51.49 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 t -146.09 -49.67 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.98 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -108.66 93.89 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.612 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.454 HG12 ' HB2' ' A' ' 17' ' ' LEU . 46.4 t -87.12 137.35 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 16' ' ' GLU . 32.7 m-85 -134.75 170.1 16.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HD2' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -132.1 112.45 12.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.95 ' HA ' HD23 ' A' ' 14' ' ' LEU . 2.6 t80 -78.55 136.41 37.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.807 HG11 ' CE2' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -130.03 156.6 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -135.86 93.13 15.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.98 -3.98 14.74 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -19.76 62.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -121.29 -135.83 4.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 82.87 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.4 p -55.48 123.41 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 t 61.19 146.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -94.61 121.87 36.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.793 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.04 110.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.71 94.35 0.96 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.3 OUTLIER 177.6 89.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.997 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.2 m 83.23 -65.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.36 93.09 2.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.72 20.7 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.22 26.87 3.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -154.05 36.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 114' ' ' PRO . 92.3 mt -111.42 146.82 35.41 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.611 ' HG2' HG21 ' A' ' 71' ' ' VAL . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.966 ' CD1' HD21 ' A' ' 30' ' ' LEU . 50.1 p90 -141.19 164.44 30.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.867 HD13 ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -117.07 139.2 51.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' O ' ' C ' ' A' ' 16' ' ' GLU . 5.9 p -115.07 106.68 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' CD2' ' A' ' 109' ' ' PHE . 29.7 tt0 -35.05 122.15 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 110' ' ' LYS . 6.2 mt -122.18 167.03 13.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 167.61 29.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.98 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -2.99 13.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.03 -15.87 12.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.65 42.86 3.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.3 m -124.54 163.39 21.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -100.13 135.87 40.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 p -70.79 176.47 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -85.63 47.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.61 -167.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -93.78 116.54 66.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 164.89 32.46 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.21 151.36 46.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.966 HD21 ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -123.46 157.73 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 21.6 m-85 -150.77 111.93 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HA ' ' CB ' ' A' ' 13' ' ' TYR . 2.0 mtt-85 -89.65 142.33 27.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.638 HD21 HD13 ' A' ' 64' ' ' LEU . 75.7 mt -100.28 78.38 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -67.51 167.91 11.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 36' ' ' SER . 15.4 mt -40.75 158.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 35' ' ' LEU . 1.5 m 85.99 -170.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.962 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 7.7 p -105.18 139.72 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 49' ' ' SER . 1.7 m -117.05 122.13 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -97.65 126.47 42.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.701 ' CG1' HD23 ' A' ' 52' ' ' LEU . 11.8 t -103.98 148.37 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.76 -141.35 8.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 52' ' ' LEU . 51.3 p -116.05 7.71 14.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.779 . . . . 0.0 110.449 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.38 160.07 14.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -107.32 117.15 33.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -114.67 -9.36 12.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 170.1 -168.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -91.09 -27.15 18.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -93.83 33.35 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.434 ' HA ' HG23 ' A' ' 38' ' ' THR . 19.9 m -110.49 148.69 31.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.908 HG22 ' CD2' ' A' ' 52' ' ' LEU . 26.7 mt -92.44 127.04 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.87 110.91 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.908 ' CD2' HG22 ' A' ' 50' ' ' ILE . 4.0 mm? -108.05 135.82 48.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.25 113.21 18.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.88 166.51 39.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.54 2.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.75 16.83 6.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 103' ' ' PHE . 5.4 mm -101.63 152.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.562 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -121.83 -178.54 0.63 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 58' ' ' GLN . 18.4 Cg_endo -74.96 -58.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.793 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -102.34 74.6 1.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.592 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.494 ' CG ' ' HB1' ' A' ' 80' ' ' ALA . 4.8 t60 -57.64 -68.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.616 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.2 p -152.68 164.23 38.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -111.07 132.96 53.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.638 HD13 HD21 ' A' ' 33' ' ' LEU . 3.5 mt -112.66 110.4 20.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.5 m -108.13 146.88 32.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -119.37 107.38 13.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 mmt -118.68 99.15 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.69 22.08 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.68 -18.62 56.99 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -75.3 143.58 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.611 HG21 ' HG2' ' A' ' 12' ' ' PRO . 48.0 t -135.22 136.95 50.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.804 HG22 ' HA ' ' A' ' 94' ' ' MET . 10.0 p -136.68 119.03 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.564 HG13 HD13 ' A' ' 89' ' ' ILE . 3.3 p -69.09 119.5 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.589 HG23 ' OG1' ' A' ' 92' ' ' THR . 61.9 m -119.61 105.37 43.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 110.411 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.22 5.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -119.56 30.84 6.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.19 124.02 26.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 3.4 ttp -80.14 60.42 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 78' ' ' MET . 3.8 m-20 170.47 -32.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.494 ' HB1' ' CG ' ' A' ' 61' ' ' HIS . . . -65.68 102.54 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 83' ' ' TYR . 13.6 mp0 -75.83 125.72 29.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.406 HG21 HG21 ' A' ' 73' ' ' VAL . 3.2 m -127.91 110.98 13.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.543 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 37.3 m-85 -115.47 116.62 28.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 85' ' ' ASP . 93.6 t -92.75 91.53 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 1.3 t70 82.7 31.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.93 7.35 84.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -114.65 115.11 26.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.543 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 8.1 ttt180 -69.71 153.28 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.564 HD13 HG13 ' A' ' 73' ' ' VAL . 7.0 pt -124.25 150.27 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.64 -15.22 11.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -142.33 -177.61 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.589 ' OG1' HG23 ' A' ' 74' ' ' THR . 20.1 m -56.61 102.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.6 m -103.63 130.53 51.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.804 ' HA ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -63.3 156.3 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.507 HD13 HD11 ' A' ' 101' ' ' LEU . 29.8 mt -116.02 138.43 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -120.91 154.87 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.5 p -67.74 122.23 17.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.16 -32.79 6.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.7 142.69 49.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 109' ' ' PHE . 2.6 mtm-85 -88.56 151.44 22.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -125.97 106.17 9.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.505 ' HG3' HG12 ' A' ' 108' ' ' VAL . 2.6 tt0 -91.41 133.35 35.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 101' ' ' LEU . 14.7 m-85 -124.07 71.28 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 105' ' ' THR . . . 96.73 39.13 4.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.491 ' CG2' ' CE2' ' A' ' 83' ' ' TYR . 17.7 p 32.41 45.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.399 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.6 p -144.37 -47.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -122.81 105.0 9.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.616 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.58 ' C ' ' CD1' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -104.24 165.18 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 30.4 m-85 -150.18 160.52 43.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -111.98 112.83 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 2.4 t80 -79.08 129.51 34.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.9 t -127.78 145.29 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -112.16 97.55 39.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.453 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 18.5 Cg_endo -75.0 -4.81 15.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.9 t -66.78 -52.39 44.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.99 143.57 6.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.93 11.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.7 m 42.34 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 t -127.23 97.17 4.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.985 . . . . . . . . 0 0 . 1 stop_ save_