data_1ugk_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 1ugk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 131' ' ' ILE . 5.1 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -57.85 -153.98 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.8 m -114.39 169.51 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -131.5 123.17 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 20.2 m-85 -105.95 142.66 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CD1' HD13 ' A' ' 11' ' ' LEU . 11.6 p90 -167.25 160.9 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.435 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 3.9 p -138.44 122.06 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.32 152.01 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -158.39 141.24 14.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 58.9 t80 -122.4 120.91 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 22' ' ' LYS . 12.9 t-20 -68.42 68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 96.0 m-85 -47.59 -42.78 24.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -47.92 -48.25 31.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -111.56 22.93 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 38.47 67.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' ASN . . . -135.12 163.24 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.707 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -104.38 140.01 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG1' HG22 ' A' ' 76' ' ' THR . 48.9 t -133.89 122.17 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.707 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 70.7 t -116.69 96.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 11.5 t-20 -84.09 136.32 34.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' LYS . 2.5 mt -114.59 102.43 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 2.7 tptt -61.55 -139.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.5 pt-20 -114.19 169.95 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.65 130.59 53.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.03 140.02 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 85.73 41.38 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 34' ' ' LEU . 2.1 mt -86.16 129.7 52.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 132.17 15.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.798 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.59 151.31 41.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.456 0.17 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 67' ' ' LYS . 10.1 t -159.36 177.38 11.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.503 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.12 176.45 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.54 73.67 11.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.03 159.92 40.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 11.0 p90 -157.53 136.71 11.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.8 mt -91.77 130.54 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -95.35 135.87 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 3.6 ttp -104.14 140.66 37.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.3 m -154.65 135.58 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 42.2 mt -95.32 95.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 2.3 mm? -86.76 157.2 55.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.643 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.01 -43.86 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.643 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -15.5 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 54' ' ' PRO . 3.4 tttt 72.25 12.64 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.01 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -51.26 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -102.22 125.0 48.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 19.1 m -148.26 153.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 157.38 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.402 HG22 ' CG2' ' A' ' 28' ' ' ILE . 73.5 p -89.6 144.49 25.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -38.22 147.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.42 HG23 ' CB ' ' A' ' 47' ' ' TYR . 3.0 t -95.15 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 73' ' ' PHE . 1.4 mm? -56.31 178.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' LYS . 6.8 mmt-85 -130.39 113.47 14.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 48.7 mttt 48.56 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER 174.61 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.27 0.53 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 21.9 t0 -142.8 64.35 14.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.49 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 150.99 38.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -127.95 106.97 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' HD22 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -91.37 -41.53 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 32.0 t0 39.7 50.83 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.7 mt-10 -89.05 176.28 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.476 HG22 ' CG1' ' A' ' 25' ' ' VAL . 2.6 m -158.93 131.31 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.82 133.73 53.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.542 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.6 m -101.98 156.21 17.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 78' ' ' THR . 21.6 m-85 -153.8 137.87 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -120.65 145.89 46.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.69 -25.6 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.426 HD11 ' CB ' ' A' ' 24' ' ' PHE . 2.0 mp -65.54 123.44 84.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.591 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.06 14.48 0.86 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.591 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 18.1 t80 67.34 -56.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 69.3 p -55.54 -17.5 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.0 -15.97 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 84' ' ' TYR . 27.2 mm -52.39 -38.91 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.48 -9.01 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.06 13.22 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.497 ' CD2' ' CD ' ' A' ' 55' ' ' GLU . 81.3 mt -106.58 178.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.92 129.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -90.73 113.54 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 19.8 t-80 -95.58 105.62 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 11' ' ' LEU . 37.2 m-85 -97.34 108.02 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.9 m -99.06 117.66 34.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.487 ' CD1' HG12 ' A' ' 131' ' ' ILE . 4.9 mp -90.07 88.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -96.21 -165.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.6 mt -63.46 104.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.442 ' CG2' HD23 ' A' ' 8' ' ' LEU . 13.3 mt -65.42 -30.02 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 177.55 169.96 39.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -123.24 135.2 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.1 144.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 tp -140.08 140.8 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.563 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.8 tp -139.38 94.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.15 5.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 92' ' ' LEU . 29.7 mt -74.96 -1.08 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.6 t -64.23 91.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.61 -30.4 5.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.429 HG21 ' CE ' ' A' ' 125' ' ' MET . 2.7 mm -57.85 147.8 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -122.09 102.97 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 121' ' ' SER . 11.4 mt -93.88 -17.34 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 54.8 p -37.36 -57.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.61 -46.9 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 159.69 -141.32 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -90.84 141.04 29.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.429 ' CE ' HG21 ' A' ' 118' ' ' ILE . 14.8 ptp -134.38 140.45 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -87.65 140.33 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.447 ' CE ' HG12 ' A' ' 113' ' ' ILE . 6.3 mtm -143.73 155.76 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.88 159.66 40.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -144.91 143.42 30.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.81 141.0 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.487 HG12 ' CD1' ' A' ' 96' ' ' ILE . 6.9 mt -99.01 121.42 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.16 -172.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD23 ' CG2' ' A' ' 108' ' ' ILE . 83.8 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.434 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -161.36 -160.84 11.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.463 ' CA ' HD12 ' A' ' 131' ' ' ILE . 72.6 m -124.47 171.46 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.451 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -138.38 122.57 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.517 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 19.0 m-85 -106.86 143.39 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CD1' HD13 ' A' ' 11' ' ' LEU . 7.1 p90 -170.83 171.06 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 125' ' ' MET . 2.6 p -147.7 131.78 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.79 144.62 25.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.5 tt0 -155.62 125.35 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 67.8 t80 -102.84 128.81 49.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 23' ' ' ALA . 20.0 t30 -75.28 85.99 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.4 -47.99 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -59.62 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.6 mtp180 -101.61 23.79 10.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 35.38 70.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -133.67 171.21 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.468 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.7 t80 -116.52 128.19 55.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.573 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 2.5 t -118.57 126.36 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 61.2 t -114.53 94.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 10.9 t-20 -79.96 125.99 30.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' LYS . 86.2 mt -108.19 100.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.6 tttp -61.12 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.44 172.46 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.58 137.48 52.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.9 47.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.434 ' HA3' ' CA ' ' A' ' 9' ' ' GLY . . . 106.22 46.67 1.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 2.3 mt -107.57 115.61 59.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.65 157.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.3 mmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.491 0.186 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 9.2 t -176.13 171.06 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.527 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 p -165.71 176.62 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -118.23 72.97 9.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.03 149.21 36.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 9.2 p90 -145.84 138.84 25.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.54 133.21 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' A' ' 61' ' ' LYS . 14.7 mttt -105.07 124.13 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.442 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 5.0 ttp -96.6 149.8 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -155.12 129.43 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.5 mt -85.9 90.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.49 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 55.9 mt -86.25 157.27 56.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.03 -22.73 13.58 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 54' ' ' PRO . 15.6 mt-10 -25.62 -64.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 tttt 74.84 3.76 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -73.3 -66.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.433 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 50.8 m-70 -62.47 94.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.94 119.48 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 14.3 m -137.62 145.03 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -124.97 156.83 37.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.522 ' HB ' ' CG ' ' A' ' 73' ' ' PHE . 40.5 p -90.2 146.76 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -42.42 147.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.7 t -90.33 98.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.407 HD23 ' CE1' ' A' ' 73' ' ' PHE . 1.3 mm? -54.91 166.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -121.29 125.76 47.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 14.4 mttt 42.91 84.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 68' ' ' THR . 1.0 OUTLIER -177.83 119.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.5 mm? -74.88 -28.46 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -116.15 87.43 19.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.94 159.57 41.38 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.74 90.62 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.522 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 2.4 m-85 -80.69 -43.09 20.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 73' ' ' PHE . 61.7 t0 38.04 43.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.7 mm-40 -87.95 -178.25 5.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.573 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 3.9 m -156.24 123.73 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 41.7 m-85 -115.28 127.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -98.82 157.49 16.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 32.6 m-85 -155.99 119.37 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.23 155.58 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.87 -44.43 1.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 87' ' ' ILE . 2.4 mp -49.77 114.06 3.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.546 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.66 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.546 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 23.2 t80 67.23 -57.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 70.5 p -55.63 -17.51 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -88.39 -11.91 44.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 82' ' ' ILE . 7.7 mm -56.17 -36.92 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.25 -6.05 26.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -111.22 9.91 21.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 69.6 mt -109.13 -175.63 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -178.0 124.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.445 ' HB2' HG21 ' A' ' 113' ' ' ILE . 15.7 mt -88.04 132.42 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 36.7 t-80 -115.66 106.94 14.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.51 ' CD2' HD11 ' A' ' 11' ' ' LEU . 29.5 m-85 -97.91 122.64 41.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.8 m -115.18 120.59 40.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 3.1 mp -90.22 87.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -92.28 -163.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.9 mt -63.97 108.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.464 ' CG2' HD23 ' A' ' 8' ' ' LEU . 12.1 mt -76.49 -46.96 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.27 167.98 35.12 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -122.43 131.97 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 112' ' ' LEU . 55.2 t -125.29 138.53 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.409 ' N ' HG11 ' A' ' 111' ' ' VAL . 8.0 tp -134.94 142.67 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.594 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.2 tp -140.73 96.97 7.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.2 5.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.759 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.4 mt -77.79 2.22 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.0 t -68.1 91.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.86 -28.76 5.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.0 mm -65.3 149.15 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.513 ' O ' ' CE ' ' A' ' 125' ' ' MET . 0.0 OUTLIER -126.06 140.19 52.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.3 mt -126.68 14.72 7.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -62.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -46.53 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 164.31 -139.0 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -96.73 146.11 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.8 ptp -132.79 160.92 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -105.35 140.26 38.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.456 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.5 mtm -142.75 150.35 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -135.37 162.85 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.49 146.01 23.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.61 146.3 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.463 HD12 ' CA ' ' A' ' 10' ' ' THR . 8.8 mt -106.13 125.1 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.78 -172.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.958 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 131' ' ' ILE . 3.3 mm? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.45 -177.03 16.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.416 ' CA ' HD12 ' A' ' 131' ' ' ILE . 59.3 m -117.25 167.77 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -136.05 122.15 20.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 33.9 m-85 -107.79 136.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -160.31 173.38 15.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.8 129.81 14.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD13 ' CD1' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -89.71 136.27 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.7 tt0 -144.7 127.04 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -104.87 134.7 47.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' LYS . 12.7 t-20 -83.4 60.75 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 17.5 m-85 -41.59 -50.28 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.8 -47.83 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.1 mtp180 -107.26 22.81 15.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.5 mmtt 37.18 69.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' ASN . . . -142.02 172.76 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CZ ' HG23 ' A' ' 26' ' ' VAL . 6.9 t80 -121.3 140.08 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 77' ' ' PHE . 4.1 t -131.2 128.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.583 HG23 ' CZ ' ' A' ' 24' ' ' PHE . 44.5 t -115.58 93.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.57 127.92 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 62' ' ' THR . 5.4 mt -108.43 99.56 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.21 -137.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.428 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 10.8 pt-20 -113.87 175.0 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.59 154.34 46.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.66 143.12 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 94.82 32.32 7.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 mt -92.6 120.38 67.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.77 15.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.47 114.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.486 0.184 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.412 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 5.0 t -165.77 176.99 7.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.531 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 p -165.68 176.53 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 48.8 m-20 -117.96 73.24 9.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.95 145.42 31.62 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 38.0 p90 -142.49 139.17 31.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.5 mt -93.16 136.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -103.36 155.96 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.483 ' HE3' ' CZ ' ' A' ' 79' ' ' PHE . 6.0 ttp -123.74 150.04 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.48 ' CG2' ' HG3' ' A' ' 56' ' ' LYS . 14.9 m -160.49 138.09 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.45 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 8.1 mt -96.37 92.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.4 mm? -83.91 156.42 64.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.0 -24.49 11.32 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.051 -0.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -24.4 -68.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' HG3' ' CG2' ' A' ' 51' ' ' THR . 53.0 tttt 81.08 -2.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.0 mmtt -66.67 -84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -47.44 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.646 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -111.71 124.21 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 12.3 m -137.41 146.18 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -125.27 163.09 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.458 ' CG2' HD12 ' A' ' 28' ' ' ILE . 21.6 p -102.92 155.34 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 125.63 25.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -77.2 128.54 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -72.56 167.55 20.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -111.1 116.43 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 18.1 mttt 53.75 82.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -175.28 126.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 69' ' ' LEU . 3.0 mm? -83.92 -20.61 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 p-10 -118.63 80.2 16.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.568 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -75.04 148.35 35.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -128.72 92.37 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 3.6 m-85 -81.83 -45.98 14.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t70 42.24 43.81 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.16 -177.67 6.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.48 HG22 ' CG1' ' A' ' 25' ' ' VAL . 3.1 m -160.97 126.76 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.498 ' O ' ' CG1' ' A' ' 25' ' ' VAL . 27.0 m-85 -112.35 162.14 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 5.2 m -132.23 154.08 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 78' ' ' THR . 24.2 m-85 -156.51 129.07 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.88 143.93 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.69 -22.35 8.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 84' ' ' TYR . 3.0 mp -64.76 117.78 41.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.572 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 17.19 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.572 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 19.3 t80 66.4 -56.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.4 p -55.37 -17.85 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.61 -13.73 50.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 82' ' ' ILE . 16.6 mm -56.39 -54.77 24.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.41 -30.76 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -82.73 -26.52 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.45 ' HG ' ' CG2' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -66.7 -170.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 176.16 120.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 15' ' ' LEU . 12.8 mt -84.26 143.05 29.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -126.23 105.3 8.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.444 ' CD2' HD13 ' A' ' 11' ' ' LEU . 23.1 m-85 -93.44 115.48 28.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 m -108.62 122.49 47.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.85 91.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 107' ' ' ILE . 4.4 mp -98.33 -164.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.47 HG13 ' CD2' ' A' ' 97' ' ' LEU . 36.8 mt -63.09 121.05 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.0 mt -96.0 -31.56 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.36 170.81 41.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.77 135.69 49.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.9 t -131.92 145.31 35.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.9 tp -143.36 142.11 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -139.65 97.88 8.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.13 6.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' A' ' 87' ' ' ILE . 29.3 mt -73.48 -3.84 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.1 t -55.68 97.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.93 -29.7 9.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.475 HG21 ' CE ' ' A' ' 125' ' ' MET . 1.9 mm -50.78 140.79 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 6.5 pt-20 -118.13 116.86 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 67.1 mt -108.61 -11.84 15.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 13.0 t -48.57 -56.02 9.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -46.85 -38.64 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . 144.0 155.68 6.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.1 OUTLIER -39.86 143.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.475 ' CE ' HG21 ' A' ' 118' ' ' ILE . 2.7 ptt? -135.87 154.46 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.41 138.66 31.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.44 ' CE ' HG12 ' A' ' 113' ' ' ILE . 1.7 mtm -142.21 146.73 35.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.36 165.22 21.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.5 147.43 24.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -88.65 144.64 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 8' ' ' LEU . 7.2 mt -106.21 114.36 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.48 -172.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.969 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 131' ' ' ILE . 9.4 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 121.19 177.41 15.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.489 HG22 ' CE1' ' A' ' 12' ' ' PHE . 29.2 m -117.02 159.25 22.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.51 HD12 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -125.35 122.07 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 11.5 m-85 -104.92 137.19 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.504 ' CD1' HD11 ' A' ' 11' ' ' LEU . 9.8 p90 -166.03 167.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.5 t -142.26 146.0 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.4 142.38 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -153.56 122.13 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 54.1 t80 -99.78 131.96 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' LYS . 8.0 t-20 -76.53 95.3 3.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.09 -32.0 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.57 -43.85 95.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.8 mtp85 -114.08 21.49 14.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASN . 3.7 mmtt 36.99 69.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 18' ' ' ASN . . . -136.75 177.93 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -122.53 138.19 54.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.538 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 2.4 t -131.68 123.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 85.1 t -114.51 88.36 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -68.82 131.32 44.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.474 HD13 ' CG2' ' A' ' 62' ' ' THR . 4.6 mt -110.51 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -63.27 -141.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -114.29 167.92 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.02 139.56 52.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 142.39 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 85.04 50.89 3.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 mp -99.1 125.2 42.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 139.88 24.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.58 144.63 47.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.403 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.477 0.18 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.407 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 14.8 t -156.88 160.41 39.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.525 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.1 m -156.52 176.45 12.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -118.84 72.47 11.3 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.98 168.04 25.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 97' ' ' LEU . 36.3 p90 -165.56 138.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 49' ' ' LYS . 15.4 mt -91.87 141.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 48' ' ' ILE . 8.9 mttt -113.51 126.41 55.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.433 ' SD ' ' N ' ' A' ' 51' ' ' THR . 4.2 tmm? -96.21 148.85 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.483 ' CG2' ' HG3' ' A' ' 56' ' ' LYS . 98.8 m -157.93 129.22 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 3.4 mt -87.41 101.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.5 mt -90.36 158.32 43.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.631 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.01 -39.94 1.33 Allowed 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.631 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -16.58 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HG3' ' CG2' ' A' ' 51' ' ' THR . 2.6 tttt 74.02 13.6 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -71.16 -78.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -52.79 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.595 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 57' ' ' LYS . 50.1 mtpt -106.35 116.03 31.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 15.7 m -128.51 148.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -128.2 148.82 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.474 ' CG2' HD13 ' A' ' 28' ' ' ILE . 64.2 p -88.53 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 124.3 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -74.14 128.03 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.93 170.9 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -112.67 129.69 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 10.7 mttt 40.26 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -175.31 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -97.26 7.82 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 85.68 4.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 149.74 37.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.8 89.65 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' ASP . 3.1 m-85 -78.03 -43.5 29.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' PHE . 6.2 p-10 37.5 42.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 179.17 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.538 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 2.8 m -152.49 126.99 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -116.78 120.15 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.459 HG23 ' CZ ' ' A' ' 80' ' ' TYR . 1.1 m -96.81 141.96 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.449 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -135.94 121.19 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.459 ' CZ ' HG23 ' A' ' 78' ' ' THR . 80.0 m-85 -101.91 131.25 48.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.9 -44.86 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 HG21 ' CD2' ' A' ' 90' ' ' LEU . 3.9 mp -43.9 117.53 2.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.575 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.97 15.7 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.575 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 27.1 t80 68.65 -56.76 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.7 p -57.14 -16.19 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.14 -11.29 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 115' ' ' LEU . 7.6 mm -56.41 -53.19 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 116' ' ' SER . 20.5 mt-30 -49.89 -24.54 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.13 -24.87 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -66.76 -177.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 179.65 131.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.482 ' CD2' HD23 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -93.96 132.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 29.1 t-80 -115.43 104.52 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 11' ' ' LEU . 33.0 m-85 -97.71 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.7 m -107.96 121.86 45.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.446 ' CD1' HG12 ' A' ' 131' ' ' ILE . 5.3 mp -90.15 92.74 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.1 mp -94.51 -166.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.1 mt -70.34 124.77 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.41 ' CG2' HD21 ' A' ' 8' ' ' LEU . 18.6 mt -93.4 -43.59 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.76 160.04 33.39 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.75 139.66 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.75 149.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -150.71 142.91 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.614 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.8 OUTLIER -139.33 98.26 8.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.4 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 92' ' ' LEU . 21.8 mt -82.04 6.43 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -70.97 57.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.84 -33.38 0.39 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -68.62 136.89 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 7.0 pt-20 -121.38 124.45 44.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 mt -107.36 -1.66 21.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.9 -36.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -55.37 10.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.96 -144.65 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -89.66 145.38 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 8.8 ptp -141.0 138.31 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 127' ' ' MET . 0.0 OUTLIER -80.02 142.3 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.454 ' CE ' HG12 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -142.3 146.99 35.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.74 135.75 40.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.21 148.24 49.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.61 147.22 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 8' ' ' LEU . 7.4 mt -103.55 128.62 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.0 pp -142.92 -171.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.3 mm? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . -176.65 -158.55 20.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.4 ' CA ' HD12 ' A' ' 131' ' ' ILE . 94.2 m -119.41 174.12 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -144.64 115.95 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.453 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 14.1 m-85 -99.43 138.7 36.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 127' ' ' MET . 2.3 p90 -165.37 171.7 13.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.16 146.99 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 92' ' ' LEU . 5.7 mt -111.06 146.13 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.6 tp10 -157.45 137.48 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 39.5 t80 -112.08 121.29 44.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' LYS . 54.0 t-20 -69.72 74.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 2.6 m-85 -49.4 -45.85 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -43.53 -50.84 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.7 mtp180 -112.19 25.67 11.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 35.64 67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' ASN . . . -131.65 167.42 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.678 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.7 t80 -112.53 135.43 53.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.543 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 22.6 t -127.4 122.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.678 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 79.5 t -116.4 95.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -78.25 140.61 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 62' ' ' THR . 8.2 mt -117.87 100.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -61.64 -137.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.481 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.38 175.57 5.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.57 131.54 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.61 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 91.22 61.46 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 33' ' ' GLY . 8.1 mt -115.63 124.04 30.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.75 15.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.02 141.13 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.474 ' CE ' HG12 ' A' ' 108' ' ' ILE . 13.3 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.482 0.182 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.457 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 9.0 t -168.12 170.2 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.502 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.48 176.86 7.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -121.32 71.4 24.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -74.99 149.34 36.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 97' ' ' LEU . 46.5 p90 -141.92 138.03 31.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.424 HG21 ' N ' ' A' ' 49' ' ' LYS . 22.2 mt -92.37 144.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' N ' HG21 ' A' ' 48' ' ' ILE . 8.8 mttm -106.09 160.6 15.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 2.5 ttp -135.97 129.66 32.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.481 ' CG2' ' HA ' ' A' ' 56' ' ' LYS . 8.3 m -141.67 137.28 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.2 mt -91.41 91.91 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.2 mm? -84.86 156.3 61.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -24.33 11.53 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.979 0.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -23.88 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 12.1 tttt 78.84 2.95 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.9 mmtt -69.19 -90.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -44.43 96.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.3 mtpt -105.04 119.46 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 17.4 m -134.65 149.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.96 162.26 32.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.461 ' CG2' HD11 ' A' ' 28' ' ' ILE . 19.4 p -91.79 164.96 13.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -59.46 165.3 2.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -107.97 100.25 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.21 165.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -120.29 128.58 53.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 18.2 mttt 43.79 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -177.56 139.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mt -93.22 -22.89 18.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -119.73 87.59 37.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.99 136.35 20.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.481 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -116.3 93.32 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 71' ' ' PRO . 2.9 m-85 -83.26 -45.09 14.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' PHE . 4.2 m-20 39.64 44.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.7 -178.57 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.543 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 19.4 m -159.05 127.24 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -115.91 135.18 54.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.409 ' C ' ' CG ' ' A' ' 79' ' ' PHE . 3.6 m -103.03 157.5 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.439 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.412 ' CZ ' ' HE1' ' A' ' 50' ' ' MET . 36.9 m-85 -155.2 125.69 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -103.27 153.0 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.27 -57.9 0.87 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.9 mp -44.96 109.32 0.88 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.96 134.54 18.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.469 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 19.5 t80 -47.83 -28.78 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.7 p -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -84.67 -20.77 30.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 12.8 mm -50.71 -45.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -61.42 -12.59 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.5 10.21 25.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 86' ' ' GLN . 76.3 mt -107.16 -178.46 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -175.22 124.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.483 ' CD1' HD22 ' A' ' 15' ' ' LEU . 15.1 mt -89.47 136.71 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -117.32 106.13 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 29.2 m-85 -93.06 114.79 27.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.468 ' CG2' HG22 ' A' ' 107' ' ' ILE . 22.9 m -109.44 117.57 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 131' ' ' ILE . 4.0 mp -87.49 98.2 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.625 ' CB ' ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -88.97 -171.45 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.478 HG13 ' CD1' ' A' ' 97' ' ' LEU . 39.5 mt -60.4 105.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' ILE . 80.4 mt -64.26 -43.46 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.75 177.04 34.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -128.96 140.21 51.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.2 t -136.32 143.8 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 tp -136.96 147.83 46.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.57 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.6 tp -145.44 95.68 4.97 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.05 5.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.28 1.66 18.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.7 t -63.23 94.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.27 -25.55 9.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.69 140.61 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.41 ' C ' ' OE1' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -123.99 134.96 53.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.5 mt -120.73 15.53 11.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -50.78 72.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 165.5 -140.06 6.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 146.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.8 ptp -132.94 150.79 52.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.01 139.57 33.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 13' ' ' PHE . 4.8 mtm -143.55 151.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.62 144.46 46.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -133.23 146.26 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 142.77 27.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.476 HG12 ' CD1' ' A' ' 96' ' ' ILE . 4.7 mt -101.6 120.26 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.35 -172.6 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.6 mm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.1 -165.95 19.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 m -120.23 164.57 16.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 tp -130.93 139.72 50.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -123.37 141.62 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 6.5 p90 -169.45 162.4 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 p -132.95 124.39 27.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' CD2' HD23 ' A' ' 92' ' ' LEU . 2.5 mt -87.92 140.26 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -152.19 118.08 5.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 29.6 t80 -103.89 131.87 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 23' ' ' ALA . 63.0 t-20 -79.61 122.4 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.8 m-85 -89.73 -32.74 16.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.37 -44.33 84.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.0 mtp180 -117.92 23.51 11.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER 36.54 63.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' CD2' ' A' ' 17' ' ' TYR . . . -120.41 172.21 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CB ' HD12 ' A' ' 82' ' ' ILE . 5.3 t80 -125.99 123.22 38.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG1' HG22 ' A' ' 76' ' ' THR . 2.3 t -115.78 117.74 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -111.78 90.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 10.5 t-20 -73.06 136.73 45.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' LYS . 11.7 mt -114.02 101.77 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.06 -135.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.3 pt-20 -114.21 174.07 6.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.52 141.49 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -134.42 134.41 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 102.99 47.14 1.38 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.52 116.31 57.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.54 13.36 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.43 1.753 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.82 149.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.506 0.194 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 67' ' ' LYS . 13.1 t -160.88 154.85 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.495 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.0 p -139.67 177.69 7.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -116.43 75.88 6.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.08 153.84 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 8.7 p90 -152.3 137.15 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.78 128.37 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.49 125.01 39.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.446 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 3.8 ttp -96.52 134.45 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 56' ' ' LYS . 86.8 m -148.18 125.53 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.4 mt -81.45 93.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 93' ' ' HIS . 29.1 mt -86.51 158.45 54.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.02 -19.88 17.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.02 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -28.19 -69.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 0.8 OUTLIER 79.4 2.31 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 17.6 mmtt -71.03 -83.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -50.0 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -107.27 129.67 54.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 9.1 m -140.69 149.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -126.33 168.48 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 p -84.94 178.25 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.92 4.06 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.6 t 50.89 98.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.544 ' CB ' ' HB3' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -61.22 163.14 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -116.04 107.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 68' ' ' THR . 12.6 mttt 56.62 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.95 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.26 -5.13 40.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -141.25 68.35 26.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.544 ' HB3' ' CB ' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 155.3 42.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.13 102.09 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CE1' HD23 ' A' ' 65' ' ' LEU . 3.3 m-85 -82.63 -45.62 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 40.9 43.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -85.51 -175.92 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.466 HG22 ' CG1' ' A' ' 25' ' ' VAL . 2.9 m -158.12 129.73 6.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 51.4 m-85 -126.23 121.96 34.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -97.44 158.28 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 78' ' ' THR . 36.9 m-85 -155.85 131.86 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -110.28 138.26 46.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.5 -31.96 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 84' ' ' TYR . 2.0 mt -63.04 116.11 22.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.61 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.576 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 27.8 t80 67.13 -57.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 42.5 p -56.11 -17.73 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.0 tt0 -89.21 -11.65 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 6.1 mm -56.06 -45.04 80.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.413 ' CA ' ' HA ' ' A' ' 116' ' ' SER . 9.8 mt-30 -60.2 -13.35 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -104.11 10.57 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 83.1 mt -109.52 -177.98 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -176.32 122.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.43 HD23 ' CD2' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -83.61 114.38 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 20.9 t-80 -94.03 104.98 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -96.71 109.84 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 97' ' ' LEU . 22.5 m -102.91 120.29 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.1 mp -93.34 87.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.8 mp -95.26 -162.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.8 mt -65.14 111.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -79.88 -29.1 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.88 176.95 46.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.67 131.96 45.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -127.77 147.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 tp -146.81 139.53 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.571 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 4.1 tp -134.12 94.73 17.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.0 mt -77.88 2.61 16.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.413 ' HA ' ' CA ' ' A' ' 88' ' ' GLN . 31.1 t -60.41 87.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.3 -21.88 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.436 HG21 ' CE ' ' A' ' 125' ' ' MET . 2.4 mm -65.72 148.97 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 125' ' ' MET . 4.5 pt-20 -124.94 122.21 36.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' GLU . 32.4 mt -122.49 46.51 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.58 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -67.74 66.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.047 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.525 ' HG3' ' CG ' ' A' ' 19' ' ' PHE . 6.6 mt-10 66.45 8.01 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.24 112.97 3.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -79.07 128.71 33.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.7 ptp -125.51 137.9 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.26 140.22 32.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.478 ' CE ' HG12 ' A' ' 113' ' ' ILE . 2.2 mtm -141.65 153.77 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -136.4 160.82 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.462 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 12.6 mmt-85 -146.09 148.83 33.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -96.55 137.92 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.6 121.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.56 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.015 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.47 ' CB ' HG22 ' A' ' 131' ' ' ILE . 23.2 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.7 -165.65 18.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.465 ' CA ' HD13 ' A' ' 131' ' ' ILE . 56.5 m -121.65 169.07 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -136.51 118.68 15.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 14.5 m-85 -104.94 139.73 39.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.1 p90 -163.83 163.79 23.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 p -136.5 118.72 15.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -78.62 150.28 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' VAL . 13.1 tt0 -161.97 132.19 4.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 76.8 t80 -111.91 131.66 55.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -79.81 95.33 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.19 -43.8 93.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.41 -56.2 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.4 mtt-85 -103.87 20.11 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.0 mttt 36.02 68.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -129.82 169.49 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CZ ' ' CD1' ' A' ' 115' ' ' LEU . 5.1 t80 -113.4 124.95 53.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.1 t -114.54 134.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -126.72 94.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.494 ' HA ' ' CB ' ' A' ' 76' ' ' THR . 1.0 OUTLIER -82.69 121.4 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 29' ' ' LYS . 10.2 mt -100.72 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.66 -135.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.33 171.71 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 127.46 41.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -115.0 136.27 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 101.21 50.63 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.476 HD11 ' CG ' ' A' ' 71' ' ' PRO . 3.6 mt -103.03 113.46 65.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.67 157.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.448 ' CE ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.472 0.177 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.6 t -146.7 172.01 14.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.456 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -165.15 175.23 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -125.07 70.02 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.456 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.94 169.54 22.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.479 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 45.9 p90 -163.71 138.53 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.7 mt -92.99 142.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -112.07 130.57 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 51' ' ' THR . 4.2 tmm? -96.51 149.76 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.1 m -156.08 130.35 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 79' ' ' PHE . 5.6 mt -89.96 86.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.5 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 79.5 mt -83.08 156.46 66.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.66 13.68 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.963 0.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -26.21 -68.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.485 ' HD2' ' CD2' ' A' ' 53' ' ' LEU . 0.6 OUTLIER 77.7 7.1 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.92 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -46.53 94.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' LYS . 13.1 mtpt -105.22 122.56 46.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 77' ' ' PHE . 7.0 m -135.09 154.69 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -130.56 157.76 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.549 ' HB ' ' CG ' ' A' ' 73' ' ' PHE . 25.4 p -97.08 131.87 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.49 126.81 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.68 127.46 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 71' ' ' PRO . 3.8 mm? -70.97 170.65 12.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' LYS . 15.6 mmt-85 -111.42 124.32 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' ARG . 10.7 mttp 40.92 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.23 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 t -175.5 147.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' CD1' ' CE ' ' A' ' 42' ' ' MET . 4.9 mt -104.67 -9.52 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -132.14 80.01 65.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.476 ' CG ' HD11 ' A' ' 34' ' ' LEU . 18.1 Cg_endo -75.02 146.43 32.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.779 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.45 93.76 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 19.5 m-85 -79.02 -39.24 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' PHE . 22.5 t0 38.73 30.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.691 ' CG ' ' CE1' ' A' ' 77' ' ' PHE . 3.9 tp10 -96.89 143.4 27.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.494 ' CB ' ' HA ' ' A' ' 27' ' ' ASN . 1.5 t -126.65 141.77 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.691 ' CE1' ' CG ' ' A' ' 75' ' ' GLU . 19.1 m-85 -122.45 124.57 43.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -86.7 166.38 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 78' ' ' THR . 51.7 m-85 -158.59 107.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -86.58 144.41 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.36 -41.43 1.68 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' C ' ' H ' ' A' ' 84' ' ' TYR . 2.9 mp -51.94 118.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 16.84 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.443 1.759 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.547 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 31.9 t80 68.69 -56.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' PRO . 75.8 p -58.28 -15.78 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -91.28 -10.28 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 5.0 mm -55.65 -35.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -74.22 -2.47 25.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.92 13.97 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.073 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.6 mt -109.49 -167.85 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 176.18 123.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.474 ' CD1' HD12 ' A' ' 15' ' ' LEU . 15.4 mt -89.1 128.78 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 33.8 t-80 -111.45 106.12 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 29.2 m-85 -94.74 111.77 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.7 m -103.54 123.64 47.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.555 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 1.8 mp -93.4 86.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mp -94.96 -166.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.98 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.8 mt -67.24 105.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.451 ' CG2' HD21 ' A' ' 8' ' ' LEU . 16.4 mt -67.09 -39.37 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.0 164.31 36.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -121.64 131.8 54.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.16 149.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 tp -141.86 149.22 39.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.584 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.7 tp -149.81 98.23 3.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.01 6.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 24' ' ' PHE . 15.2 mt -77.51 0.3 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.1 t -64.32 94.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.28 -25.8 7.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.66 139.96 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -122.82 113.77 19.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.7 mt -92.55 4.86 52.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.454 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -47.31 -61.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -41.49 -50.22 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 159.04 -138.2 5.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -88.61 125.54 34.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 19.4 ptp -112.98 152.16 29.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.95 134.95 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 4.6 mtm -142.61 154.85 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.77 164.7 27.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.435 ' CG ' HD11 ' A' ' 113' ' ' ILE . 1.9 mmt180 -152.82 146.08 24.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -88.28 140.53 29.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.221 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.47 HG22 ' CB ' ' A' ' 8' ' ' LEU . 4.7 mt -97.74 119.34 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.66 -170.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.491 ' CB ' HG23 ' A' ' 131' ' ' ILE . 3.3 mm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 -168.53 18.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.9 m -122.97 161.25 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.455 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.587 HD23 ' CD2' ' A' ' 94' ' ' PHE . 2.1 tp -124.52 147.05 48.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.43 ' N ' HD12 ' A' ' 11' ' ' LEU . 15.9 m-85 -128.41 137.03 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -168.79 159.82 9.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.475 ' OG ' ' CD2' ' A' ' 126' ' ' LEU . 0.2 OUTLIER -137.2 120.87 17.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -76.61 138.29 40.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -144.43 125.94 14.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 61.5 t80 -102.47 124.23 47.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LYS . 33.2 t-20 -70.34 60.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -42.14 -45.77 4.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.46 -44.59 25.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -114.33 23.6 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASN . 8.5 mttt 37.89 66.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -135.98 168.94 18.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.628 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 t80 -111.62 126.01 54.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.1 t -122.05 120.84 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.628 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 65.6 t -110.33 98.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 2.5 t-20 -83.39 111.18 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.6 mt -94.52 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -62.58 -137.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.1 pt-20 -113.83 174.59 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.75 139.06 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -131.6 136.4 47.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 106.94 37.94 2.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 34' ' ' LEU . 6.5 mt -98.87 115.61 65.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.06 164.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.8 mmt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.469 0.176 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.438 HG21 ' CG ' ' A' ' 67' ' ' LYS . 10.2 t -168.0 -179.9 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.515 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.66 176.49 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.45 71.25 17.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 179.28 6.24 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.654 ' CE2' ' CD2' ' A' ' 97' ' ' LEU . 55.5 p90 -178.4 144.72 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mt -92.11 139.54 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 93' ' ' HIS . 15.1 mttt -106.24 125.08 50.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.459 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 3.3 ttp -96.27 149.09 22.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.0 m -159.14 129.85 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.9 mt -88.54 89.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.2 mm? -84.93 156.41 60.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.93 -24.31 11.51 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.006 -0.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.562 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.3 mt-10 -24.92 -64.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 72.26 4.95 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 9.1 tppt? -75.37 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 43.6 m-70 -65.54 74.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LYS . 5.4 ttmt -92.15 123.67 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 11.0 m -140.15 148.25 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -129.39 152.87 48.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' ARG . 70.0 p -93.52 133.35 36.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -35.99 150.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.463 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -103.93 96.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.439 HD13 ' CA ' ' A' ' 71' ' ' PRO . 1.5 mt -55.78 154.97 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 67' ' ' LYS . 10.8 mmt85 -98.72 142.68 29.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' CG ' HG21 ' A' ' 43' ' ' THR . 5.6 mttt 38.14 85.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 68' ' ' THR . 4.8 t -176.56 103.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.5 -30.59 71.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -117.2 81.06 12.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.439 ' CA ' HD13 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 143.25 28.84 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.42 1.747 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.69 94.78 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.2 m-85 -81.67 -41.4 21.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' PHE . 3.4 t0 39.48 44.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -83.26 177.3 8.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.8 m -154.72 121.88 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 45.6 m-85 -117.59 125.56 51.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.1 m -101.74 156.67 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' THR . 11.3 m-85 -154.5 133.29 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.32 147.17 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.1 -16.63 8.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 84' ' ' TYR . 2.0 mp -77.71 116.39 57.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.536 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.96 21.66 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.536 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 16.3 t80 66.73 -59.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' PRO . 82.0 p -54.86 -18.81 5.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -87.51 -11.56 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 82' ' ' ILE . 6.6 mm -58.05 -41.05 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -67.91 -7.31 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.07 13.04 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -110.14 -170.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 178.35 123.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 15' ' ' LEU . 13.0 mt -90.0 133.56 34.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LYS . 37.6 t-80 -114.12 109.06 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.587 ' CD2' HD23 ' A' ' 11' ' ' LEU . 31.9 m-85 -99.11 110.62 23.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.4 m -107.29 101.08 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 131' ' ' ILE . 4.4 mp -79.18 83.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.654 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 2.2 pt? -111.56 171.88 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.5 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.5 mt -83.28 110.78 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.2 mt -60.0 -47.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.6 173.98 45.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.03 156.98 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.5 t -142.64 154.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.19 145.93 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.621 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -144.78 98.77 4.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.8 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.3 -0.81 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -69.6 99.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.72 -27.44 8.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.404 HG22 ' CE ' ' A' ' 125' ' ' MET . 2.8 mm -55.57 147.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -120.76 97.21 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.0 -14.34 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLU . 55.3 p -39.34 -64.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 1.5 mt-10 -37.73 -42.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.08 -138.43 6.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -93.11 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.404 ' CE ' HG22 ' A' ' 118' ' ' ILE . 15.3 ptp -130.08 136.6 49.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.475 ' CD2' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -84.95 140.33 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.479 ' CE ' HG12 ' A' ' 113' ' ' ILE . 1.4 mtm -141.72 156.47 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.35 157.5 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.51 ' NE ' ' CD1' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -139.71 146.32 39.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.45 141.49 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.491 HG23 ' CB ' ' A' ' 8' ' ' LEU . 2.6 mp -101.58 116.95 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.76 -172.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.059 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' CB ' HG22 ' A' ' 131' ' ' ILE . 2.2 mm? . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.47 -164.37 27.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -118.84 170.01 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 0.775 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -141.13 125.65 17.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.448 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 15.3 m-85 -107.76 139.53 42.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -165.18 170.59 14.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.442 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 4.3 p -147.55 121.1 9.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.78 152.24 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' VAL . 11.8 tt0 -162.3 137.41 7.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 22' ' ' LYS . 5.6 t30 -79.97 86.29 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.81 -42.74 99.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.24 -47.42 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.2 mtp85 -115.9 24.93 11.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER 36.42 67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -131.66 172.31 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 7.1 t80 -110.48 150.34 29.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.7 t -143.45 126.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 77.9 t -121.45 90.22 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 18.1 t-20 -76.13 120.21 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mt -102.05 102.58 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -138.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.1 pt-20 -114.63 170.28 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.48 129.86 54.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.6 132.49 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 98.62 44.04 2.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mp -99.0 121.5 55.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.27 16.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 147.78 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.519 0.2 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 ' HG1' ' N ' ' A' ' 44' ' ' SER . 13.5 t -173.37 153.96 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.529 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 p -149.61 176.05 11.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.0 p-10 -119.62 71.51 14.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 163.46 35.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.702 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 43.8 p90 -157.77 139.22 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.78 138.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -106.32 124.69 49.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 51' ' ' THR . 3.7 tmm? -95.81 145.78 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.459 ' N ' ' SD ' ' A' ' 50' ' ' MET . 87.2 m -155.81 138.99 15.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 4.9 mt -94.27 89.23 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.496 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.7 mm? -83.8 156.5 64.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.92 -25.21 10.44 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.023 -0.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.577 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -23.05 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HA ' HG23 ' A' ' 51' ' ' THR . 0.6 OUTLIER 81.47 15.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -80.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -52.73 99.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -112.92 116.25 29.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.1 m -132.66 155.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 144.95 36.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -90.38 177.6 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.606 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 96.3 mtt180 -64.37 141.76 58.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 2.5 m -88.14 -20.22 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 2.3 mt 59.16 151.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.9 mmt180 -102.46 134.58 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 66' ' ' ARG . 3.6 mttt 42.94 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.427 HG23 ' CB ' ' A' ' 65' ' ' LEU . 6.8 t -173.27 114.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.07 -20.74 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.5 78.94 73.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.03 143.44 28.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -126.52 96.35 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 63' ' ' ARG . 1.8 m-85 -82.06 -44.23 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.9 t0 40.69 46.37 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 5.9 mm-40 -89.33 -176.48 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -158.15 126.61 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 61.7 m-85 -115.25 124.3 51.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -98.86 146.23 26.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 20.3 m-85 -144.13 137.55 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.569 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 88.6 m-85 -119.48 139.58 51.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.35 -19.43 5.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG2' HD12 ' A' ' 87' ' ' ILE . 2.7 mp -70.92 122.14 86.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.97 14.94 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.549 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 19.3 t80 67.04 -57.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.1 p -53.87 -18.54 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.436 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -83.49 -17.15 42.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 82' ' ' ILE . 16.9 mm -53.46 -51.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -53.89 -19.13 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -97.63 -21.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' HG ' ' CG2' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -70.36 -171.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 177.04 120.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -81.51 127.78 33.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -111.44 105.29 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' VAL . 35.2 m-85 -98.27 111.84 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -101.31 106.7 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 131' ' ' ILE . 3.3 mp -80.82 81.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.702 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 1.7 pt? -115.96 170.02 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.1 mt -81.41 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.1 mt -98.2 -39.19 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.51 168.51 40.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -120.07 154.46 34.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -138.88 148.07 24.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.7 148.17 40.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.582 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.3 tp -148.4 96.64 3.88 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 120.93 6.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 92' ' ' LEU . 21.4 mt -71.92 -4.8 30.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -58.47 105.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.05 -33.4 6.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.46 HG22 ' CE ' ' A' ' 125' ' ' MET . 1.7 mm -61.95 137.45 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 7.6 pt-20 -116.46 113.23 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.469 ' CD2' ' HE3' ' A' ' 125' ' ' MET . 66.7 mt -93.11 -14.8 26.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.61 -53.87 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -50.4 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 160.07 -142.19 8.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -91.9 119.46 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.469 ' HE3' ' CD2' ' A' ' 120' ' ' LEU . 15.0 ptp -111.63 139.47 47.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -91.89 140.02 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.434 ' CE ' HG12 ' A' ' 113' ' ' ILE . 8.3 mtm -144.77 151.4 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -131.19 144.63 51.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.413 ' CG ' HD11 ' A' ' 113' ' ' ILE . 4.6 mmt180 -130.5 146.98 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -92.99 138.57 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 96' ' ' ILE . 3.3 mt -95.48 118.09 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -130.23 -172.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.1 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.42 -166.02 31.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -113.9 164.11 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -137.06 125.19 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.512 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 7.4 m-85 -105.87 139.16 40.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -166.45 162.84 17.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 p -136.53 151.21 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.506 ' CD2' HD11 ' A' ' 92' ' ' LEU . 6.0 mt -112.82 152.89 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.99 125.15 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 11.7 t80 -99.16 144.34 28.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 22' ' ' LYS . 63.9 t-20 -96.81 60.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 16.1 m-85 -35.8 -48.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -43.62 -53.46 5.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.4 mtp85 -110.31 24.27 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASN . 5.3 mttt 36.23 67.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -131.96 165.79 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 6.9 t80 -115.18 132.1 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 4.0 t -119.28 106.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 89.3 t -101.52 93.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.7 t-20 -81.67 130.13 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' LYS . 49.9 mt -109.92 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.61 -139.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.8 pt-20 -113.57 169.69 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.88 141.14 52.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -130.82 141.61 50.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 91.29 45.45 4.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.445 HD12 ' CD ' ' A' ' 71' ' ' PRO . 1.7 mt -97.87 122.18 55.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.88 15.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.03 152.09 24.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.404 ' HG3' ' CB ' ' A' ' 98' ' ' SER . 9.7 mmt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.476 0.179 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 9.9 t -150.85 171.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.449 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.3 p -164.98 175.36 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 56.2 m-20 -122.33 73.01 38.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.449 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 162.81 36.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.597 ' CZ ' ' CB ' ' A' ' 97' ' ' LEU . 33.4 p90 -159.01 142.79 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 95' ' ' THR . 23.7 mt -93.11 157.68 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 47' ' ' TYR . 2.7 mtpm? -128.93 127.36 41.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.473 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 4.3 tmm? -99.81 149.72 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.414 ' N ' ' SD ' ' A' ' 50' ' ' MET . 99.9 m -155.21 134.78 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.481 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.2 mt -91.62 94.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.492 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.4 mm? -87.12 156.95 54.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -25.35 10.34 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.979 0.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.591 ' C ' ' O ' ' A' ' 54' ' ' PRO . 25.1 mt-10 -21.97 -66.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 71.77 6.41 5.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -74.16 -63.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 11.7 m-70 -68.36 97.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.654 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -109.32 122.42 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 16.0 m -135.17 148.81 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.07 152.94 48.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.505 ' HB ' ' CG ' ' A' ' 73' ' ' PHE . 38.2 p -90.65 138.59 31.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.2 126.15 17.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -72.32 134.58 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 3.9 mm? -81.23 165.59 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -109.67 126.84 54.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 15.7 mttt 45.54 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -176.15 135.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -93.0 -5.45 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.74 88.35 16.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.2 Cg_endo -75.03 141.13 26.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.97 88.92 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 8.4 m-85 -79.3 -42.4 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.5 t70 38.39 43.53 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 6.2 mm-40 -89.89 177.71 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.46 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 10.8 m -154.75 132.24 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 95.5 m-85 -122.46 119.85 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -97.32 138.39 34.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD2' HD11 ' A' ' 52' ' ' ILE . 23.3 m-85 -133.92 116.11 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -91.29 168.39 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.09 -46.61 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.454 ' CG2' HD22 ' A' ' 90' ' ' LEU . 6.5 mt -52.0 113.98 4.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.94 138.35 23.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.479 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 30.2 t80 -45.13 -48.08 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.5 p -54.8 -25.45 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.405 ' HB2' ' HG2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -79.79 -14.47 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.479 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 6.9 mm -63.88 -56.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -54.06 -18.63 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.61 -26.29 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.454 HD22 ' CG2' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -65.63 -169.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 178.17 135.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.506 HD11 ' CD2' ' A' ' 15' ' ' LEU . 15.9 mt -99.21 140.26 33.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -123.64 105.52 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 111' ' ' VAL . 26.0 m-85 -94.59 118.84 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.499 ' CG2' HD22 ' A' ' 97' ' ' LEU . 21.7 m -115.79 117.42 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.552 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 1.8 mp -86.22 100.16 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.597 ' CB ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -92.41 -171.11 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.404 ' CB ' ' HG3' ' A' ' 37' ' ' MET . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.492 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 56.3 mt -64.74 96.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 96' ' ' ILE . 97.1 mt -55.93 -37.6 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.63 177.91 40.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -131.96 145.92 51.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -144.54 143.47 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -140.82 147.39 38.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.612 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.6 OUTLIER -145.47 99.63 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.71 5.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 48.9 mt -66.3 -9.1 29.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.9 t -60.27 104.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.82 -41.05 2.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 119' ' ' GLU . 2.2 mm -58.59 149.59 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.511 ' O ' ' CE ' ' A' ' 125' ' ' MET . 10.0 mm-40 -125.64 128.24 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.37 5.39 18.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.568 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -56.14 -48.46 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.22 -56.4 18.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.92 -142.81 7.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -85.33 133.9 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.511 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 17.2 ptp -124.68 142.67 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 127' ' ' MET . 0.0 OUTLIER -92.5 137.44 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.7 mtm -142.53 149.98 39.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -134.75 143.77 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.445 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 23.2 mmt-85 -132.12 146.72 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -89.53 140.63 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.42 HG12 ' CD1' ' A' ' 96' ' ' ILE . 3.3 mt -96.59 123.07 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.78 -172.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.483 ' CB ' HG23 ' A' ' 131' ' ' ILE . 2.8 mm? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.42 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -164.14 -173.27 32.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -115.9 160.59 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 94' ' ' PHE . 5.8 tp -122.95 136.43 54.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.401 ' N ' HD11 ' A' ' 11' ' ' LEU . 16.2 m-85 -120.02 137.38 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -169.17 168.51 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -132.98 161.32 34.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 115' ' ' LEU . 8.3 mt -126.63 136.04 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -154.83 126.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 68.3 t80 -101.14 127.01 47.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 22' ' ' LYS . 45.7 t-20 -71.18 94.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.6 m-85 -68.69 -36.03 77.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -49.24 76.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.4 mtp180 -109.87 21.64 16.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 37.01 69.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.602 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -136.1 178.41 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.0 t80 -121.66 135.36 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.5 t -123.55 111.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 48.9 t -107.51 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.08 128.1 33.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' LYS . 27.3 mt -109.62 101.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.75 -135.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -113.05 177.53 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.35 127.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -118.28 130.18 55.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 107.1 48.16 0.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 1.6 mt -107.77 113.72 61.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.95 12.85 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' CA ' HD11 ' A' ' 69' ' ' LEU . . . -47.42 158.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.42 ' CE ' HG12 ' A' ' 108' ' ' ILE . 12.7 mmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.512 0.196 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.468 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 7.5 t -176.31 177.94 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.559 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 7.9 p -164.73 177.85 7.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.12 68.42 17.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.1 Cg_endo -75.03 153.7 41.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 24.7 p90 -157.54 139.18 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 95' ' ' THR . 61.7 mt -90.33 143.58 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -110.68 128.09 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' VAL . 4.6 ttp -96.09 146.38 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.486 ' CG2' ' HA ' ' A' ' 56' ' ' LYS . 91.2 m -156.1 124.1 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.1 mt -82.19 90.05 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.494 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.71 156.86 67.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.558 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.0 Cg_endo -75.03 -23.75 12.26 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.995 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.4 mt-10 -25.81 -61.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 0.4 OUTLIER 67.87 8.99 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -79.17 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.442 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 17.2 m-70 -61.79 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' LYS . 3.6 mttt -94.71 126.13 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 50' ' ' MET . 15.8 m -146.17 140.92 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -124.1 154.34 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 p -87.14 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -42.98 110.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.3 p -68.76 100.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.411 ' CB ' HG23 ' A' ' 68' ' ' THR . 1.5 mt -62.54 156.71 22.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -105.4 137.2 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.6 mtpt 45.78 86.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 13.8 t -177.79 105.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 43' ' ' THR . 2.5 mm? -66.53 -26.46 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.98 77.66 31.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.418 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.01 137.72 22.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.804 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.68 93.81 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.4 m-85 -81.56 -43.02 19.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 42.57 45.43 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -88.63 174.51 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.415 ' CG2' HG11 ' A' ' 25' ' ' VAL . 4.3 m -158.68 130.58 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -119.93 129.77 54.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 m -105.39 141.06 37.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -138.33 128.41 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -99.24 155.77 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.06 -62.34 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.3 mt -41.98 113.72 1.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.35 21.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 37.8 t80 -51.84 -19.0 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 p -80.59 -19.66 45.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 3.0 tt0 -90.42 -14.44 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.3 mm -52.83 -41.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.03 -7.07 19.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -113.12 16.17 19.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 71.9 mt -112.78 -176.93 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 179.22 124.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -88.09 130.69 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.4 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 26.9 t-80 -111.49 104.47 12.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CD2' HD22 ' A' ' 11' ' ' LEU . 31.9 m-85 -96.48 108.83 21.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 48' ' ' ILE . 65.3 m -101.75 121.84 42.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.3 mp -85.87 89.18 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mp -95.33 -166.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.5 mt -66.26 107.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.42 HG12 ' CE ' ' A' ' 37' ' ' MET . 7.7 mt -74.96 -37.49 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.16 -179.67 41.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.63 138.4 47.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 t -131.96 150.74 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -148.64 143.5 26.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.592 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.7 tp -140.39 98.13 7.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.468 HD22 ' CD2' ' A' ' 92' ' ' LEU . 27.5 mt -87.5 15.15 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.55 54.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.5 -27.2 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 119' ' ' GLU . 6.7 mm -54.51 164.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.511 ' N ' ' CG2' ' A' ' 118' ' ' ILE . 10.2 mt-10 -147.56 102.71 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 122' ' ' GLU . 0.3 OUTLIER -104.38 41.93 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.57 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 99.8 p -64.94 69.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 120' ' ' LEU . 6.9 mt-10 65.53 9.14 5.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -117.49 115.96 3.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -83.27 120.37 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 18.5 ptp -112.84 143.04 44.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.03 140.29 29.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.475 ' CE ' HG12 ' A' ' 113' ' ' ILE . 4.1 mtm -141.83 155.87 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.73 166.24 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 -148.45 146.75 28.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -94.48 138.93 31.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.483 HG23 ' CB ' ' A' ' 8' ' ' LEU . 4.2 mt -100.6 118.75 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -128.0 -172.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CB ' HG23 ' A' ' 131' ' ' ILE . 46.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.441 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -159.98 -168.11 21.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.438 HG21 ' CE1' ' A' ' 12' ' ' PHE . 18.3 m -124.18 162.95 22.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 94' ' ' PHE . 4.7 tp -124.65 139.36 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CE1' HG21 ' A' ' 10' ' ' THR . 9.7 m-85 -123.17 141.89 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -171.2 156.7 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.87 130.08 44.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' CD2' HD12 ' A' ' 92' ' ' LEU . 4.0 mt -90.94 144.79 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -152.97 139.38 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 50.7 t80 -117.96 126.72 52.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' LYS . 13.1 t-20 -73.87 58.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 28.1 m-85 -35.81 -47.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -47.81 -48.16 30.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASN . 13.1 mtp180 -110.86 21.46 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER 36.25 71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.642 ' CB ' ' CD1' ' A' ' 80' ' ' TYR . . . -137.07 155.38 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 2.9 t80 -99.35 128.07 45.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.491 ' CG1' HG22 ' A' ' 76' ' ' THR . 15.1 t -124.46 112.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 59.9 t -109.02 94.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -79.31 131.35 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' LYS . 66.1 mt -107.43 101.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.79 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.5 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.2 pt-20 -114.1 172.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.54 137.48 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.92 133.8 46.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA3' ' CA ' ' A' ' 9' ' ' GLY . . . 105.21 41.75 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD12 ' CG ' ' A' ' 46' ' ' PRO . 2.3 mt -101.06 114.53 65.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 127.41 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.38 144.57 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.523 0.201 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.476 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.3 t -163.57 179.55 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.471 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 15.1 m -163.99 175.34 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -120.73 73.49 23.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.97 166.53 29.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.665 ' CZ ' ' CD2' ' A' ' 97' ' ' LEU . 15.1 p90 -162.82 139.62 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.7 mt -91.78 135.48 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 93' ' ' HIS . 14.1 mttt -106.44 124.95 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.431 ' SD ' ' N ' ' A' ' 51' ' ' THR . 4.1 tmm? -96.24 150.08 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.503 ' CG2' ' HA ' ' A' ' 56' ' ' LYS . 86.5 m -156.28 129.23 7.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.563 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.4 mt -86.44 90.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.501 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.77 157.11 67.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.56 13.8 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.536 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -28.0 -67.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 0.7 OUTLIER 75.14 3.91 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 10.4 mmtt -70.25 -85.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 2.7 m-70 -50.99 93.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' LYS . 3.8 mtpt -105.93 126.19 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 m -131.7 147.84 32.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 155.17 46.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -88.37 160.51 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -58.07 127.2 30.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 t -76.99 92.1 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 1.6 mt -62.58 163.13 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -116.14 133.13 56.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' HB ' ' A' ' 68' ' ' THR . 0.3 OUTLIER 48.27 84.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 68' ' ' THR . 5.8 t -176.64 104.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 43' ' ' THR . 2.2 mm? -67.09 -29.78 69.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -117.04 80.77 11.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' CB ' HD12 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.99 141.23 26.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.42 93.69 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' ASP . 2.4 m-85 -81.18 -44.58 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER 37.78 44.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.32 178.9 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.491 HG22 ' CG1' ' A' ' 25' ' ' VAL . 18.5 m -143.34 149.81 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.414 ' N ' HG21 ' A' ' 76' ' ' THR . 58.9 m-85 -140.85 139.58 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.574 HG23 ' CE2' ' A' ' 80' ' ' TYR . 8.8 m -124.6 127.78 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 52' ' ' ILE . 73.0 m-85 -112.05 -12.45 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.642 ' CD1' ' CB ' ' A' ' 23' ' ' ALA . 22.6 m-85 44.43 -171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 82' ' ' ILE . . . 71.67 -55.85 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 79' ' ' PHE . 3.5 mp -33.08 113.39 0.39 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.564 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.03 18.81 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 32.1 t80 68.31 -57.04 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.5 p -55.82 -17.35 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.06 -4.01 56.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.484 ' CD1' HG21 ' A' ' 82' ' ' ILE . 5.3 mm -63.38 -52.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.427 ' CA ' ' HA ' ' A' ' 116' ' ' SER . 3.8 mt-30 -48.7 -37.76 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -73.48 -30.95 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.402 ' HG ' ' CG2' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -64.43 -170.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 175.29 120.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.478 HD12 ' CD2' ' A' ' 15' ' ' LEU . 10.8 mt -84.42 145.85 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' LYS . 34.5 t-80 -128.08 104.44 7.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' CD2' HD21 ' A' ' 11' ' ' LEU . 24.0 m-85 -94.78 119.53 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.7 m -115.71 100.16 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.414 ' CD1' HG12 ' A' ' 131' ' ' ILE . 4.5 mp -78.38 83.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.665 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 1.7 pt? -115.44 170.58 8.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 23.9 mt -79.62 137.16 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.1 mt -91.1 -40.62 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.82 169.62 42.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -121.98 144.96 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' PHE . 6.6 t -134.37 153.29 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 tp -149.39 139.21 21.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.616 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.5 OUTLIER -136.98 99.57 10.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.483 ' CD1' HG23 ' A' ' 87' ' ' ILE . 15.7 mt -74.25 -1.8 22.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.427 ' HA ' ' CA ' ' A' ' 88' ' ' GLN . 47.5 t -62.17 95.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.89 -32.09 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -52.77 131.76 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 8.1 pt-20 -119.49 114.03 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' GLY . 1.6 mt -100.64 2.07 41.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 p -40.34 -34.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.22 -47.43 57.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 156.17 -137.73 5.65 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -88.74 125.79 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 14.9 ptp -118.3 138.55 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.439 HD11 ' N ' ' A' ' 127' ' ' MET . 0.0 OUTLIER -84.2 139.25 32.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.2 mtm -141.75 154.82 45.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.52 161.56 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.413 ' CG ' ' CD1' ' A' ' 113' ' ' ILE . 0.0 OUTLIER -148.47 146.63 28.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.04 146.55 24.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.437 HG23 ' CB ' ' A' ' 8' ' ' LEU . 5.3 mt -104.33 123.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.0 pp -137.1 -171.35 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 HD12 ' CA ' ' A' ' 109' ' ' GLY . 6.9 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.47 167.44 11.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.548 HG23 ' CE1' ' A' ' 12' ' ' PHE . 6.3 m -113.5 143.28 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.66 ' CD2' ' CD2' ' A' ' 94' ' ' PHE . 8.9 tp -105.85 140.69 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 10' ' ' THR . 20.2 m-85 -120.52 137.99 54.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CZ ' ' HE2' ' A' ' 94' ' ' PHE . 7.0 p90 -167.5 168.67 12.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.437 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 54.7 p -143.89 118.99 10.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.44 147.86 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -159.09 121.83 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 65.9 t80 -100.94 121.19 41.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.1 t30 -68.66 86.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.74 -49.21 75.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CG ' ' ND2' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -42.56 -60.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.8 mtp85 -99.71 22.58 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.6 mttt 35.83 67.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 18' ' ' ASN . . . -128.8 171.5 12.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.671 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.3 t80 -118.5 118.91 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -110.16 129.72 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.671 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 94.5 t -119.91 91.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 7.1 t-20 -77.91 122.35 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' LYS . 6.8 mt -104.22 101.78 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.67 -139.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -113.67 177.37 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.07 133.55 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 137.19 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 84.59 70.61 1.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 HD11 ' CD ' ' A' ' 71' ' ' PRO . 10.1 mt -113.07 126.68 27.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.09 9.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.66 141.47 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.5 tpt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.439 0.161 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.497 ' CG2' ' HB3' ' A' ' 67' ' ' LYS . 12.8 t -169.08 169.78 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.545 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.9 p -165.68 177.31 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -116.72 73.64 6.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 136.85 20.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 97' ' ' LEU . 43.1 p90 -135.8 140.33 44.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.8 mt -91.85 131.23 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -103.47 119.66 39.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.481 ' SD ' ' N ' ' A' ' 51' ' ' THR . 4.4 tmm? -96.71 149.07 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.481 ' N ' ' SD ' ' A' ' 50' ' ' MET . 82.6 m -156.28 128.77 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.564 HD12 ' CD2' ' A' ' 79' ' ' PHE . 2.6 mt -80.72 91.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.506 ' CD1' ' HB2' ' A' ' 93' ' ' HIS . 28.6 mt -87.34 158.43 52.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -19.83 17.17 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.987 -0.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -27.45 -66.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 28.0 tttt 77.78 0.89 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -68.22 -85.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -51.05 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.601 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 9.6 mtpm? -104.33 118.12 35.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -130.55 148.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -128.51 149.97 50.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.2 p -89.09 133.12 34.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.18 124.97 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.75 129.71 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 71' ' ' PRO . 3.9 mm? -71.79 174.21 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -115.42 100.83 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 24.9 mttt 57.43 98.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 65' ' ' LEU . 1.4 t 175.84 114.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.74 -1.66 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -140.36 71.74 32.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CD ' HD11 ' A' ' 34' ' ' LEU . 18.2 Cg_endo -74.96 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -161.23 98.42 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.84 -45.54 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.33 43.28 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.5 mt-10 -85.73 176.49 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.9 m -153.25 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -115.46 138.19 51.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 2.1 m -111.6 153.81 25.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CD2' HD12 ' A' ' 52' ' ' ILE . 45.4 m-85 -151.89 102.58 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -80.09 153.6 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.53 -60.09 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.427 HG22 ' CD1' ' A' ' 90' ' ' LEU . 4.1 mt -43.1 112.04 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.85 21.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 27.8 t80 -51.61 -19.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.4 p -79.21 -19.07 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -91.14 -15.57 29.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.8 mm -52.17 -41.65 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -66.06 -9.55 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -110.19 10.66 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.427 ' CD1' HG22 ' A' ' 82' ' ' ILE . 61.9 mt -108.92 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 178.09 126.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 15' ' ' LEU . 10.4 mt -87.17 121.79 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.506 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 10.1 t-80 -98.22 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.075 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.66 ' CD2' ' CD2' ' A' ' 11' ' ' LEU . 12.1 m-85 -91.04 132.12 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.454 HG23 ' CG ' ' A' ' 110' ' ' GLU . 9.4 m -135.18 116.09 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 1.3 mp -92.82 95.97 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 2.7 mp -99.31 -164.66 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.37 109.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 88.6 mt -74.73 -45.39 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.437 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -159.93 -167.36 20.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.477 ' OE2' ' CE1' ' A' ' 93' ' ' HIS . 3.7 mt-10 -157.15 154.55 29.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.54 ' CG1' ' CB ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -155.51 153.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 113' ' ' ILE . 10.6 tp -141.17 153.24 45.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.551 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 3.9 tp -145.81 95.32 4.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.89 11.24 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.62 57.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.56 -23.98 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.564 1.165 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.04 137.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 6.6 pt-20 -122.18 115.37 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.446 ' CD2' ' HE2' ' A' ' 125' ' ' MET . 0.5 OUTLIER -108.52 8.57 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -25.49 48.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.28 -67.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . -179.08 156.78 19.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' GLY . 1.4 ttpt -39.75 125.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.446 ' HE2' ' CD2' ' A' ' 120' ' ' LEU . 10.3 ptp -119.49 135.25 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -75.56 143.98 42.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.458 ' CE ' HG12 ' A' ' 113' ' ' ILE . 0.5 OUTLIER -143.05 149.38 38.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.27 133.94 37.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.428 ' CG ' HD11 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -124.06 155.29 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 3.8 pt-20 -98.2 126.55 43.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 96' ' ' ILE . 3.5 mt -77.6 125.76 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 110' ' ' GLU . 2.1 pp -141.77 -172.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CB ' HG23 ' A' ' 131' ' ' ILE . 2.5 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.59 -169.34 26.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.4 m -118.3 169.91 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 0.765 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.44 HD23 ' CD2' ' A' ' 94' ' ' PHE . 5.9 tp -132.13 144.65 50.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -127.82 135.74 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 127' ' ' MET . 4.7 p90 -161.54 169.34 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.405 ' HB3' ' HG ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -146.72 117.77 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD2' ' CD1' ' A' ' 92' ' ' LEU . 3.0 mt -81.73 147.28 29.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -155.93 113.29 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -92.02 132.67 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' LYS . 27.0 t30 -81.13 98.19 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.07 -33.03 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.19 -46.12 91.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.9 mtp85 -113.75 22.59 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.8 mptt 36.02 69.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' ASN . . . -131.9 178.28 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 3.9 t80 -128.82 119.23 24.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 76' ' ' THR . 4.4 t -108.06 112.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 24' ' ' PHE . 66.1 t -104.26 90.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -77.56 138.51 39.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' LYS . 22.1 mt -117.13 99.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.4 ttpt -61.67 -138.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.468 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.0 pt-20 -113.02 168.9 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.06 144.27 49.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.36 130.98 41.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 108.16 48.53 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 HD12 ' CD ' ' A' ' 71' ' ' PRO . 3.1 mt -108.17 113.13 60.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 131.8 14.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.9 161.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.519 0.2 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.426 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 10.8 t -159.02 164.52 35.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.485 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.7 m -164.77 175.81 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.8 p30 -125.82 67.27 59.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.0 160.67 39.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CZ ' HD23 ' A' ' 97' ' ' LEU . 24.4 p90 -156.07 141.93 18.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 49' ' ' LYS . 36.2 mt -91.39 144.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 2.2 mttm -114.16 128.47 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 51' ' ' THR . 3.5 tmm? -96.48 150.5 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.457 ' CG2' HD21 ' A' ' 53' ' ' LEU . 32.5 m -157.96 129.7 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.384 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 3.1 mt -87.02 89.54 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.3 mm? -84.65 156.08 61.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -26.59 9.11 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.018 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.575 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -22.35 -70.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttt 79.55 5.97 2.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.3 mmtt -71.01 -81.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -55.65 88.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LYS . 25.4 mtpt -101.07 117.46 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.406 ' CG2' ' HE2' ' A' ' 50' ' ' MET . 15.8 m -131.31 146.79 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -127.98 166.2 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 p -107.0 136.82 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.96 135.47 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -83.33 129.14 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 4.0 mm? -67.86 172.64 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -115.93 123.93 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.426 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 17.5 mttt 46.14 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 43' ' ' THR . 1.8 t -173.07 153.29 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.78 -23.65 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.78 85.96 45.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.472 ' CD ' HD12 ' A' ' 34' ' ' LEU . 18.1 Cg_endo -75.06 142.14 27.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -123.88 90.84 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 5.7 m-85 -79.39 -42.5 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.1 t0 38.59 43.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -176.12 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.454 HG23 ' CG1' ' A' ' 25' ' ' VAL . 2.9 m -158.57 126.84 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -123.86 115.62 21.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -88.01 156.81 19.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 78' ' ' THR . 36.0 m-85 -151.42 112.48 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.467 ' CZ ' HG21 ' A' ' 78' ' ' THR . 41.5 m-85 -93.46 153.11 18.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.58 -39.53 2.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.481 ' C ' ' H ' ' A' ' 84' ' ' TYR . 2.4 mp -51.48 114.61 5.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.98 21.17 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.529 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 22.3 t80 65.97 -57.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . 58.9 p -54.92 -18.6 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.05 -8.97 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.447 HG21 ' CD1' ' A' ' 115' ' ' LEU . 7.6 mm -61.08 -52.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' CA ' ' HA ' ' A' ' 116' ' ' SER . 11.9 mt-30 -49.93 -33.1 16.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.05 -28.29 43.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.423 ' HG ' ' CG2' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -66.78 -171.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 174.47 118.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.477 ' CD1' HG11 ' A' ' 26' ' ' VAL . 9.9 mt -83.39 141.6 31.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -122.55 105.34 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 111' ' ' VAL . 27.5 m-85 -96.16 107.7 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -101.54 108.43 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.457 ' CD1' HG12 ' A' ' 131' ' ' ILE . 3.5 mp -80.02 85.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.518 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -120.71 167.22 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.014 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 16.6 mt -79.05 147.16 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mt -103.49 -45.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.93 173.82 40.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -127.55 150.05 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.5 t -138.52 146.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 tp -141.33 138.8 33.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.603 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -133.9 95.67 17.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.2 5.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 87' ' ' ILE . 14.6 mt -78.21 2.73 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . 0.415 ' HA ' ' CA ' ' A' ' 88' ' ' GLN . 31.8 t -61.56 85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.94 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 127.38 -32.82 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -53.29 137.41 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 5.9 pt-20 -124.61 110.73 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.19 19.44 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.8 m -66.3 -42.75 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -65.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.88 -146.17 4.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.35 138.05 32.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 125' ' ' MET . 9.3 ptp -133.89 129.84 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 127' ' ' MET . 0.4 OUTLIER -88.51 158.53 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mtm -154.93 160.71 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.73 160.98 36.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.01 148.11 33.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.63 144.98 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.466 HG23 ' CB ' ' A' ' 8' ' ' LEU . 3.3 mt -105.24 114.57 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -127.5 -172.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.433 ' CB ' HG21 ' A' ' 131' ' ' ILE . 91.0 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . -173.71 -169.29 35.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.7 m -126.64 161.22 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.487 HD22 ' CD2' ' A' ' 94' ' ' PHE . 10.2 tp -119.56 143.07 47.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -126.89 141.13 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.7 p90 -170.33 171.28 6.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.39 117.35 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 92' ' ' LEU . 2.5 mt -79.97 141.3 36.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -151.6 118.3 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 66.8 t80 -98.93 130.82 45.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' LYS . 23.7 t-20 -81.18 89.46 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 2.0 m-85 -60.89 -46.36 90.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 -49.97 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.4 mtp180 -109.63 23.15 14.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.3 mttt 35.01 69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -133.56 171.12 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.645 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 8.4 t80 -120.93 126.09 49.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.51 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 2.4 t -119.77 114.84 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.645 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 72.4 t -108.59 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.1 t-20 -78.92 126.78 31.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' LYS . 7.8 mt -103.4 103.01 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.82 -138.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 11.7 pt-20 -116.03 171.62 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.26 141.78 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.11 139.86 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 83.54 70.74 1.34 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -119.01 118.27 33.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.59 10.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HB2' ' CE ' ' A' ' 42' ' ' MET . . . -45.97 158.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.473 ' CE ' HG13 ' A' ' 108' ' ' ILE . 7.8 mmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 36' ' ' ALA . 5.8 tpt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.533 0.206 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 67' ' ' LYS . 14.6 t -174.74 152.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.529 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -142.55 178.07 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -116.76 74.4 6.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.04 143.85 29.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.608 ' CZ ' ' CD2' ' A' ' 97' ' ' LEU . 10.5 p90 -148.04 139.77 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 mt -92.06 136.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 24.9 mttt -101.96 125.32 48.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.461 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 1.9 ttp -96.85 142.93 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.463 ' CG2' ' HG3' ' A' ' 56' ' ' LYS . 34.5 m -154.84 132.55 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 80.9 mt -90.19 104.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.506 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.2 mm? -90.55 156.11 45.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.672 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -74.96 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.672 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -8.64 -70.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.7 tttt 91.0 -5.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -57.53 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -39.69 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 14.1 mtpt -119.55 121.62 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 11.7 m -131.04 152.86 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -132.32 168.0 18.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -85.63 177.48 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' VAL . 1.9 ttt-85 -72.66 0.23 11.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 47' ' ' TYR . 46.2 t 52.44 100.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.526 ' CB ' ' HB3' ' A' ' 71' ' ' PRO . 1.3 mm? -62.18 161.11 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -114.58 105.25 12.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 68' ' ' THR . 55.4 mttt 58.84 107.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.65 113.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.6 -5.43 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -142.6 69.57 20.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.526 ' HB3' ' CB ' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 165.13 31.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -139.22 104.07 4.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -84.94 -49.46 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 43.27 42.03 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -88.75 171.33 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.51 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 4.3 m -146.39 133.48 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -125.58 121.88 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 m -97.92 152.14 19.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -144.4 134.16 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -114.84 155.6 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.48 -9.58 45.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.56 1.163 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 84' ' ' TYR . 4.8 mt -80.32 118.61 73.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.546 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 16.77 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.546 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 16.2 t80 66.87 -59.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' PRO . 73.7 p -54.32 -18.01 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.455 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.58 -18.65 34.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 84' ' ' TYR . 12.8 mm -51.03 -43.16 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -63.49 -11.04 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -108.0 9.46 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.5 mt -110.46 -173.62 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 179.84 149.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 15' ' ' LEU . 12.5 mt -113.84 141.28 47.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.477 ' CE1' ' OG1' ' A' ' 95' ' ' THR . 31.1 t-80 -118.41 106.15 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.565 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.487 ' CD2' HD22 ' A' ' 11' ' ' LEU . 24.8 m-85 -94.93 100.63 12.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.477 ' OG1' ' CE1' ' A' ' 93' ' ' HIS . 96.2 m -100.1 107.46 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.477 ' CD1' HG12 ' A' ' 131' ' ' ILE . 3.8 mp -82.14 84.12 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.608 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -117.24 171.35 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.45 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.529 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 32.2 mt -83.46 138.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.473 HG13 ' CE ' ' A' ' 37' ' ' MET . 5.8 mt -97.81 -47.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.66 176.77 39.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -132.16 146.43 52.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -137.26 152.97 28.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.0 tp -145.81 143.43 29.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -139.68 97.79 8.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 131.7 14.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.54 ' CD1' ' CZ ' ' A' ' 24' ' ' PHE . 33.3 mt -87.99 18.03 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.1 t -72.55 58.4 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 149.23 -24.47 1.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.425 ' CG2' HD12 ' A' ' 120' ' ' LEU . 2.3 mm -50.87 135.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.6 100.86 6.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.425 HD12 ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -91.06 3.08 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 8.7 t -62.64 -47.08 85.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.81 -55.62 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 167.61 156.2 9.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 113.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.7 ptp -101.54 150.44 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.31 137.29 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.44 ' CE ' HG12 ' A' ' 113' ' ' ILE . 4.7 mtm -142.35 152.98 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -134.08 166.59 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -151.18 146.4 26.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -89.31 139.06 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 96' ' ' ILE . 5.6 mt -98.98 120.03 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.11 -172.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.464 HD23 ' CG2' ' A' ' 108' ' ' ILE . 36.9 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . -165.96 -163.37 19.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.488 HG21 ' CE1' ' A' ' 12' ' ' PHE . 74.0 m -126.39 162.64 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -130.5 122.39 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 15.7 m-85 -106.85 138.86 42.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -167.13 169.21 12.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' NZ ' ' A' ' 124' ' ' LYS . 80.9 p -144.94 130.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -88.04 148.54 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -159.45 123.98 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 57.7 t80 -104.13 133.37 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' LYS . 47.7 t-20 -81.85 75.07 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 3.2 m-85 -48.34 -51.16 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.1 mtp180 -101.26 24.39 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.7 mttt 34.68 71.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -139.38 175.04 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.613 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 10.0 t80 -121.15 145.15 48.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.57 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 6.7 t -135.58 120.64 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.613 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 73.9 t -109.55 94.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -81.52 116.32 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 29' ' ' LYS . 55.4 mt -99.17 102.44 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -61.42 -136.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.57 174.9 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.63 123.03 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.07 138.39 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 93.39 50.02 2.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 9.5 mt -99.88 118.69 61.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.15 11.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.554 1.818 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.03 150.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 42' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.487 0.185 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.461 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 8.7 t -155.83 173.35 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.515 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.4 p -165.24 176.69 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -120.61 71.16 18.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 168.33 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 18.1 p90 -173.33 137.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -91.12 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -107.52 126.03 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 60' ' ' VAL . 8.3 ttp -96.19 130.82 43.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.9 m -140.27 128.36 22.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 55' ' ' GLU . 60.6 mt -85.27 81.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.1 mm? -65.84 155.54 86.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 -39.61 1.41 Allowed 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.0 0.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -56.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 57' ' ' LYS . 11.7 mtmt -60.79 -8.41 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 56' ' ' LYS . 5.1 mmtt -28.66 -77.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -60.05 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -99.3 131.3 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 50' ' ' MET . 15.5 m -150.94 143.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.2 160.91 28.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' ARG . 37.9 p -93.93 132.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -37.4 115.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.1 p -75.5 102.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' ' 71' ' ' PRO . 1.5 mt -64.36 157.9 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -105.91 144.08 33.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 3.4 mttm 42.48 82.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.1 t -176.18 119.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.6 mt -79.21 -26.95 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -121.37 78.58 35.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.2 Cg_endo -74.95 140.24 25.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.36 96.97 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.9 m-85 -82.77 -43.73 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PHE . 2.3 m-20 39.19 45.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.8 -179.88 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.57 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 3.0 m -158.66 129.98 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 68.7 m-85 -121.25 125.16 46.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -100.89 141.32 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 19.4 m-85 -139.6 121.4 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -99.88 128.01 46.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.47 -32.87 1.82 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 84' ' ' TYR . 1.7 mp -61.04 116.61 19.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.564 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 17.55 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 24.9 t80 67.75 -57.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' PRO . 81.8 p -56.04 -16.92 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -90.0 -10.31 45.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 6.0 mm -58.47 -39.29 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.82 -9.42 28.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.13 12.25 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.4 mt -110.94 -175.54 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -178.45 121.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 15' ' ' LEU . 15.9 mt -84.25 124.38 31.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 24.4 t-80 -105.49 105.42 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.418 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 26.5 m-85 -94.02 102.23 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.481 ' CB ' HD13 ' A' ' 97' ' ' LEU . 32.2 m -98.16 118.33 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.518 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.8 mp -87.56 85.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' A' ' 95' ' ' THR . 3.8 mp -97.68 -165.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.41 122.47 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.464 ' CG2' HD23 ' A' ' 8' ' ' LEU . 9.6 mt -88.71 -44.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.09 167.08 39.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -123.16 130.8 53.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.3 t -126.15 145.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tp -140.85 139.48 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.591 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.6 tp -137.43 97.16 10.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.65 18.88 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.24 58.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 150.16 -20.19 1.08 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.461 HG21 ' CD2' ' A' ' 120' ' ' LEU . 2.6 mm -51.74 144.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.784 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -134.68 104.73 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -96.71 11.56 35.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 10.0 t -56.39 -57.24 13.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -51.88 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.66 -145.13 8.8 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.417 ' NZ ' ' OG ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -91.95 122.03 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.404 ' HE2' ' CD1' ' A' ' 120' ' ' LEU . 18.4 ptp -107.03 144.86 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.75 138.31 31.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.9 mtm -143.59 145.7 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.53 149.27 49.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -139.28 144.11 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 147.37 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.477 HD13 ' CA ' ' A' ' 10' ' ' THR . 8.0 mt -106.81 122.56 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.447 ' CA ' HD13 ' A' ' 8' ' ' LEU . 2.1 pp -136.62 -171.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CB ' HG23 ' A' ' 131' ' ' ILE . 79.7 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 175.68 -170.93 44.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.469 ' CA ' HD13 ' A' ' 131' ' ' ILE . 55.2 m -123.6 170.59 10.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' CD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -136.99 121.69 18.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 18.1 m-85 -105.37 141.67 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' HD12 ' A' ' 11' ' ' LEU . 8.4 p90 -168.16 174.98 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.446 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 8.0 p -151.5 122.07 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.494 HD12 ' CD1' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -80.14 152.7 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.1 tt0 -159.74 130.98 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 29.4 t80 -101.41 130.07 47.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.1 t30 -79.49 60.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -41.18 -48.18 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -41.61 -59.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' LYS . 70.8 mtt180 -102.64 25.31 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 38.44 63.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -132.99 177.37 7.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 5.8 t80 -117.67 142.16 47.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.608 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 11.9 t -130.98 121.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 89.3 t -114.56 95.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.0 t-20 -82.95 124.67 30.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.7 mt -105.97 103.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -137.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.476 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.4 OUTLIER -114.63 176.21 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.98 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 140.62 44.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 84.52 72.38 1.29 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' CD ' ' A' ' 71' ' ' PRO . 9.9 mt -116.21 119.16 37.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.66 144.3 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 70.1 mmm . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.527 0.203 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 t -132.1 -178.77 5.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.536 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -165.26 177.14 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.527 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 1.4 m-20 -126.37 64.01 53.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 156.95 43.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.695 ' CE2' ' CD2' ' A' ' 97' ' ' LEU . 51.3 p90 -158.51 145.05 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.5 mt -91.91 146.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 0.4 OUTLIER -116.46 128.79 55.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' A' ' 51' ' ' THR . 2.9 tmm? -96.0 146.58 24.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.458 ' N ' ' SD ' ' A' ' 50' ' ' MET . 87.5 m -156.79 131.44 8.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.456 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 3.7 mt -89.87 103.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.531 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 22.5 mt -90.27 158.15 44.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -42.29 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.978 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.621 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -14.61 -65.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 7.1 tttt 81.74 5.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.33 -74.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.545 ' CD2' HD12 ' A' ' 82' ' ' ILE . 3.1 m-70 -50.05 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' LYS . 10.0 mtpt -115.87 117.61 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.7 m -134.63 163.03 37.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -149.52 165.96 30.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.516 HG21 ' CG ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -108.48 142.13 39.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.62 104.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 45' ' ' ASP . 1.4 p -58.18 101.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.479 HD13 ' CB ' ' A' ' 71' ' ' PRO . 2.6 mt -53.57 149.15 8.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' LYS . 21.2 mmt-85 -101.57 137.72 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 66' ' ' ARG . 28.8 mtmt 43.9 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.9 t -178.24 112.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.99 -18.43 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -131.58 74.83 77.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.479 ' CB ' HD13 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 139.82 24.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -120.71 98.55 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CG ' HG21 ' A' ' 62' ' ' THR . 8.4 m-85 -80.15 -47.46 14.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.75 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -90.21 170.43 10.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.608 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 3.2 m -148.44 126.15 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -114.56 119.63 37.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.543 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -90.18 155.99 18.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 78' ' ' THR . 42.0 m-85 -152.45 128.4 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -107.6 161.36 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.91 -38.07 3.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.545 HD12 ' CD2' ' A' ' 58' ' ' HIS . 3.1 mt -61.77 114.51 11.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.2 Cg_endo -75.06 136.13 19.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 23.5 t80 -49.15 -25.76 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.5 p -74.51 -21.43 59.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -86.95 -10.76 52.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 8.4 mm -60.74 -61.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -48.55 -33.58 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -81.42 -25.12 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -67.76 -170.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 175.26 122.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.494 ' CD1' HD12 ' A' ' 15' ' ' LEU . 10.5 mt -87.29 144.76 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 34.5 t-80 -126.43 104.25 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.602 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.482 ' CD2' HD13 ' A' ' 11' ' ' LEU . 29.3 m-85 -94.42 108.8 20.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.1 m -100.89 105.42 16.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 131' ' ' ILE . 3.9 mp -78.18 82.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.695 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 1.6 pt? -117.36 169.79 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.527 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.4 mt -79.27 138.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mt -96.69 -45.1 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.55 167.72 40.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.88 150.74 41.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -137.22 153.68 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 tp -145.05 143.07 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.63 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.1 tp -141.09 97.82 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.38 6.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.84 -0.94 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -62.9 105.54 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.43 -35.97 4.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.4 mm -53.17 138.95 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 10.1 pt-20 -119.66 115.62 24.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 121' ' ' SER . 1.2 mt -101.6 -1.49 32.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 93.7 p -38.41 -62.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -42.37 -42.65 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 153.33 -135.16 4.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -89.04 140.74 29.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.8 ptp -130.29 146.0 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -94.63 137.53 33.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.3 mtm -143.06 155.54 44.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.08 163.55 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -151.14 147.58 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.8 143.89 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 96' ' ' ILE . 5.1 mt -101.64 123.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.63 -171.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.464 ' CB ' HG21 ' A' ' 131' ' ' ILE . 2.9 mm? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.71 -158.25 8.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 m -131.24 161.43 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.575 HD21 ' CD2' ' A' ' 94' ' ' PHE . 8.4 tp -123.2 137.09 54.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -120.33 138.02 53.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 4.9 p90 -166.7 166.38 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -139.44 118.21 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 92' ' ' LEU . 2.3 mt -83.9 146.48 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -155.16 121.89 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 84' ' ' TYR . 50.2 t80 -95.65 142.59 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.82 113.6 26.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' ARG . 85.7 m-85 -81.01 -166.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 68.77 -57.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' LYS . 21.3 mtp180 -105.46 17.52 23.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 37.62 66.82 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -120.19 161.67 20.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.631 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 6.1 t80 -125.06 141.15 52.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 2.5 t -129.2 119.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.631 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 48.7 t -119.04 90.12 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -73.01 137.28 45.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' LYS . 7.1 mt -114.83 100.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -61.89 -138.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.2 pt-20 -114.21 174.39 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.91 143.17 50.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.85 131.75 31.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 106.17 42.13 1.69 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 5.0 mp -105.91 118.05 56.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.19 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 133.46 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 106' ' ' ASP . 1.6 mmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.51 0.195 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 10.2 t -175.97 168.73 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.581 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 m -165.66 178.47 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.86 67.63 15.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.581 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.98 142.12 27.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.599 ' CZ ' ' CD2' ' A' ' 97' ' ' LEU . 36.0 p90 -136.29 140.13 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.0 mt -91.55 133.32 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 4.6 mttm -103.33 114.72 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.429 ' HE2' ' CG2' ' A' ' 60' ' ' VAL . 7.5 ttp -96.5 145.48 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 95.1 m -149.54 128.19 12.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 55' ' ' GLU . 60.2 mt -81.56 81.55 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.5 mm? -67.16 154.4 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.94 -42.28 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.047 -2.481 . . . . 0.0 111.019 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' ILE . 28.0 mt-10 -53.64 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -63.18 -10.92 17.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -35.2 -63.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' ND1' ' HG3' ' A' ' 57' ' ' LYS . 15.6 m-70 -68.78 62.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HG3' ' CG2' ' A' ' 51' ' ' THR . 0.5 OUTLIER -86.9 136.47 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.429 ' CG2' ' HE2' ' A' ' 50' ' ' MET . 15.7 m -147.76 149.41 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.51 157.45 44.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.407 ' CG2' HD11 ' A' ' 28' ' ' ILE . 17.7 p -87.95 165.86 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -60.39 147.73 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -88.01 100.65 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -58.34 164.89 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 67' ' ' LYS . 10.3 mmt85 -117.94 119.62 35.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' CA ' ' OG1' ' A' ' 43' ' ' THR . 7.2 mttt 41.0 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 68' ' ' THR . 2.4 t -176.16 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 43' ' ' THR . 1.3 mm? -60.55 -35.06 75.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.16 80.65 12.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HB3' ' CG2' ' A' ' 68' ' ' THR . 18.4 Cg_endo -74.98 149.81 37.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -124.8 103.17 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE1' HD21 ' A' ' 65' ' ' LEU . 3.4 m-85 -87.49 -45.24 10.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t0 41.27 46.79 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 179.24 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.8 m -156.09 145.27 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 28.4 m-85 -133.53 132.81 41.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 135.67 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -136.56 112.87 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -89.92 148.18 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.69 -51.64 0.69 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.457 HG21 ' CD1' ' A' ' 90' ' ' LEU . 3.2 mt -51.02 112.14 2.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.3 Cg_endo -74.98 142.69 28.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 27.5 t80 -49.73 -32.17 13.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.6 p -69.57 -19.4 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -88.18 -20.04 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.2 mm -51.17 -50.94 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -60.38 -12.27 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.89 9.91 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 82' ' ' ILE . 71.8 mt -105.76 -179.56 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -178.75 119.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.471 ' CD2' HD23 ' A' ' 115' ' ' LEU . 0.6 OUTLIER -85.16 118.32 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 23.1 t-80 -99.97 105.05 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CD2' HD21 ' A' ' 11' ' ' LEU . 32.4 m-85 -97.6 136.32 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.4 m -127.86 113.57 16.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.6 mp -85.98 82.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.599 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -118.72 171.76 7.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 21.9 mt -83.72 147.56 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.402 HG13 ' CE ' ' A' ' 37' ' ' MET . 3.2 mt -105.04 -44.51 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.86 164.47 37.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.38 166.18 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 94' ' ' PHE . 3.5 t -151.04 152.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 tp -147.81 139.18 23.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.612 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.5 tp -136.99 95.26 12.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.448 1.762 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 92' ' ' LEU . 20.9 mt -79.01 2.47 20.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.8 t -67.68 98.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.16 6.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.23 139.87 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 9.1 pt-20 -120.37 114.95 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.17 16.96 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p -69.26 -54.5 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -52.99 19.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.93 157.52 10.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.84 143.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 13.0 ptp -134.64 145.84 48.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -89.3 141.55 28.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 5.0 mtm -142.84 152.55 42.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.38 158.17 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.45 148.74 39.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -93.82 141.07 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 96' ' ' ILE . 4.8 mt -99.31 116.7 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.72 -173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.0 mm? . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.82 -163.3 17.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.7 m -118.89 172.92 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -141.17 123.93 16.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.503 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 16.6 m-85 -108.64 140.47 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.8 p90 -163.47 165.22 24.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 p -138.98 129.27 25.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.492 ' CD2' HD13 ' A' ' 92' ' ' LEU . 3.8 mt -92.08 146.42 23.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -156.94 126.17 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.0 t80 -103.41 126.56 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 22' ' ' LYS . 41.7 t-20 -68.94 100.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -35.18 65.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.12 95.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mtp180 -116.41 20.41 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 35.9 71.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -137.85 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 12.1 t80 -116.99 136.96 52.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 2.9 t -129.42 120.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.624 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 98.3 t -112.24 96.65 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.6 t-20 -81.82 135.51 35.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.422 HD12 ' CG2' ' A' ' 62' ' ' THR . 28.2 mt -111.55 101.83 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.98 -134.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.51 168.92 9.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.02 131.59 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.88 132.41 53.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 106.14 47.28 1.09 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 3.3 mt -109.37 117.09 53.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.99 130.62 13.46 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . -37.58 148.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.471 0.177 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 7.5 t -159.1 175.47 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.483 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 p -165.91 176.28 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 9.6 m-20 -117.39 75.66 8.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 159.29 41.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 46.5 p90 -158.83 138.98 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 49' ' ' LYS . 90.3 mt -92.12 146.5 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' N ' HG21 ' A' ' 48' ' ' ILE . 15.9 mttt -109.03 126.8 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.451 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 5.4 ttp -102.29 133.18 47.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.491 ' CG2' ' HG3' ' A' ' 56' ' ' LYS . 39.4 m -139.33 143.56 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.0 mt -98.62 96.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.594 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 30.5 mt -89.71 159.94 42.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.594 ' HA ' ' HB3' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.94 -39.01 1.56 Allowed 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.995 -0.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.586 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.9 pt-20 -21.69 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 52' ' ' ILE . 3.0 tttt 62.4 12.84 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -71.84 -64.8 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.445 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 5.8 m-70 -62.75 94.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.89 129.76 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 13.1 m -147.49 149.82 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -131.19 161.3 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.422 ' CG2' HD12 ' A' ' 28' ' ' ILE . 40.7 p -96.83 147.36 24.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 126.43 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -74.77 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 4.0 mm? -78.77 167.41 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -109.5 119.6 39.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 42.4 mttt 50.75 81.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -175.5 121.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.9 mm? -77.16 -22.91 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.91 86.07 24.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.1 Cg_endo -75.01 151.54 39.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 89.98 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 6.2 m-85 -79.64 -44.64 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' PHE . 32.3 t70 37.81 42.49 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -86.23 179.36 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.502 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 6.0 m -155.5 125.37 6.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -118.54 130.18 55.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -103.07 152.7 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -150.52 120.54 7.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.4 146.31 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.64 -28.07 5.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 HG21 ' CD1' ' A' ' 87' ' ' ILE . 3.1 mp -65.54 116.15 28.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.551 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.98 16.46 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.551 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 23.3 t80 68.42 -57.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' PRO . 67.5 p -57.04 -16.55 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -89.26 -12.08 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.458 ' CD1' HG21 ' A' ' 82' ' ' ILE . 8.8 mm -55.42 -36.44 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -73.33 -3.87 29.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.52 3.79 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 51.2 mt -103.21 -165.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 173.68 128.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 15' ' ' LEU . 8.2 mt -93.49 142.71 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 33.0 t-80 -123.17 105.13 9.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.426 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 28.5 m-85 -94.16 103.57 15.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.9 m -94.93 136.9 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.52 HG13 ' CG2' ' A' ' 131' ' ' ILE . 0.9 OUTLIER -97.81 89.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.56 -169.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mt -66.83 110.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 96' ' ' ILE . 7.6 mt -76.29 -40.86 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.52 -170.77 25.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -148.63 151.48 35.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.3 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.7 t -145.89 148.88 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tp -144.27 140.59 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.634 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -137.53 96.85 10.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 123.69 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 117' ' ' GLY . 28.4 mt -83.02 6.41 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.0 t -69.5 64.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 150.46 -27.36 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -65.26 142.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.505 ' O ' ' CE ' ' A' ' 125' ' ' MET . 0.0 OUTLIER -119.87 129.39 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.8 mt -113.85 10.01 17.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.459 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t -51.04 -62.03 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -45.05 -62.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 175.51 -137.46 3.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.25 143.94 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 16.7 ptp -129.61 148.21 51.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -100.92 134.5 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.488 ' CE ' HG12 ' A' ' 113' ' ' ILE . 6.4 mtm -142.49 156.29 45.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -135.02 159.82 40.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -147.8 144.45 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -85.49 148.32 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.52 ' CG2' HG13 ' A' ' 96' ' ' ILE . 12.2 mt -106.1 118.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.89 -171.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.464 ' CB ' HG23 ' A' ' 131' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.5 -165.97 23.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.2 m -118.19 170.29 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 0.717 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -137.9 122.73 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 15.3 m-85 -106.11 139.04 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD1' HD12 ' A' ' 11' ' ' LEU . 7.6 p90 -166.4 174.67 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 p -149.35 143.26 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 92' ' ' LEU . 4.5 mt -104.51 145.45 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -157.12 129.56 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.4 t80 -101.0 131.47 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' ALA . 32.8 t-20 -75.51 58.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 85.9 m-85 -35.12 -49.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.64 -49.92 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.2 mtp85 -109.88 22.93 15.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 36.92 67.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -136.09 170.89 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 6.9 t80 -111.77 137.34 49.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.427 HG12 ' CG2' ' A' ' 76' ' ' THR . 2.2 t -129.15 114.95 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 78.5 t -109.03 98.42 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 9.2 t-20 -83.47 133.48 34.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.4 mt -112.73 99.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' ILE . 3.1 tttp -61.17 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.475 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.47 174.44 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.92 128.69 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.22 139.51 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 92.7 48.0 3.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.479 HD13 ' CD ' ' A' ' 71' ' ' PRO . 8.4 mt -99.66 119.6 59.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.52 14.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.32 145.6 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.419 ' CE ' HG12 ' A' ' 108' ' ' ILE . 9.9 mmt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.509 0.195 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 44' ' ' SER . 6.0 t -130.16 -176.0 3.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.473 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 3.1 p -165.55 176.04 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.01 68.11 63.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.5 Cg_endo -74.94 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.048 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 1.3 p90 -175.95 142.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.3 153.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 93' ' ' HIS . 13.3 mttt -120.65 128.87 53.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 60' ' ' VAL . 3.6 tmm? -95.94 148.14 22.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.509 ' CG2' ' HG2' ' A' ' 56' ' ' LYS . 97.1 m -155.81 125.65 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.49 HD12 ' CG ' ' A' ' 58' ' ' HIS . 6.8 mt -85.6 97.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 11.7 mt -87.63 157.16 52.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -43.93 0.62 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.02 -0.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.659 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -12.01 -66.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER 80.85 1.59 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -70.18 -55.86 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.66 73.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LYS . 12.1 ttmt -97.33 121.92 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 50' ' ' MET . 13.5 m -141.07 145.55 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.29 148.18 47.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 28' ' ' ILE . 12.0 p -87.22 143.43 27.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.583 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 3.1 ttm180 -38.05 138.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -105.85 95.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.479 HD11 ' CB ' ' A' ' 71' ' ' PRO . 1.4 mt -55.0 169.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 64' ' ' VAL . 21.9 mmt-85 -117.78 123.8 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.1 mttt 58.81 89.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 8.0 t -177.16 119.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.9 -26.65 54.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -123.73 75.58 55.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.59 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.98 139.91 24.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.91 97.03 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.8 m-85 -84.66 -39.6 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.38 48.91 2.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.6 mm-40 -88.8 170.62 10.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.427 ' CG2' HG12 ' A' ' 25' ' ' VAL . 15.5 m -152.74 131.61 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.438 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -121.46 131.49 54.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -102.83 155.42 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 78' ' ' THR . 26.4 m-85 -151.48 121.24 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.438 ' CZ ' HG21 ' A' ' 78' ' ' THR . 49.2 m-85 -104.44 148.22 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.2 -24.21 8.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.7 mp -66.73 121.97 80.01 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.05 15.77 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.576 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 27.2 t80 68.55 -56.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -57.75 -15.67 8.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -88.71 -15.14 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 82' ' ' ILE . 14.2 mm -51.75 -47.17 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.34 -11.19 20.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.71 10.06 40.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.5 mt -110.25 -172.37 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.98 131.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.46 ' CD1' HD23 ' A' ' 15' ' ' LEU . 13.5 mt -98.99 137.35 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 35.9 t-80 -118.1 105.04 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.578 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CD2' HD13 ' A' ' 11' ' ' LEU . 26.1 m-85 -93.42 100.16 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.0 m -92.01 118.22 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.7 mp -88.13 88.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 4.2 mp -94.19 -164.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.59 98.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 96' ' ' ILE . 72.0 mt -67.21 -32.06 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -178.89 167.67 38.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.34 136.9 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.6 t -129.39 150.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 tp -145.99 143.7 29.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.635 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -140.53 96.51 7.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.04 7.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 11.4 mt -76.7 0.19 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.35 76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 136.49 -41.11 1.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.6 mm -43.28 139.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -115.86 103.63 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 121' ' ' SER . 68.3 mt -92.98 -14.32 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 120' ' ' LEU . 1.0 OUTLIER -32.13 -65.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.54 -58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.89 -140.82 6.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -81.64 142.04 33.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 13.9 ptp -131.18 140.37 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.35 137.4 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.486 ' CE ' HG12 ' A' ' 113' ' ' ILE . 8.0 mtm -144.08 154.86 43.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -135.65 140.78 44.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.87 150.52 46.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 149.02 21.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 8' ' ' LEU . 5.4 mt -109.08 113.93 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.75 -172.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.91 158.11 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -163.03 106.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.11 109.25 2.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.6 104.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -100.99 157.47 16.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.75 -127.79 2.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 131' ' ' ILE . 5.1 mt 45.72 76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' GLY . . . -57.85 -153.98 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.8 m -114.39 169.51 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -131.5 123.17 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 20.2 m-85 -105.95 142.66 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CD1' HD13 ' A' ' 11' ' ' LEU . 11.6 p90 -167.25 160.9 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.435 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 3.9 p -138.44 122.06 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.32 152.01 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -158.39 141.24 14.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 58.9 t80 -122.4 120.91 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 22' ' ' LYS . 12.9 t-20 -68.42 68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 96.0 m-85 -47.59 -42.78 24.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -47.92 -48.25 31.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -111.56 22.93 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 38.47 67.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 18' ' ' ASN . . . -135.12 163.24 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.707 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -104.38 140.01 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG1' HG22 ' A' ' 76' ' ' THR . 48.9 t -133.89 122.17 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.707 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 70.7 t -116.69 96.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 11.5 t-20 -84.09 136.32 34.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' LYS . 2.5 mt -114.59 102.43 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 2.7 tptt -61.55 -139.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.5 pt-20 -114.19 169.95 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.65 130.59 53.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.03 140.02 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 85.73 41.38 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 34' ' ' LEU . 2.1 mt -86.16 129.7 52.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 132.17 15.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.798 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.59 151.31 41.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmt -123.59 -41.47 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.92 144.52 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -107.76 60.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -122.17 -68.78 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.53 36.14 4.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.91 58.52 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 67' ' ' LYS . 10.1 t -159.36 177.38 11.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.503 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.12 176.45 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.54 73.67 11.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.03 159.92 40.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 11.0 p90 -157.53 136.71 11.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.8 mt -91.77 130.54 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -95.35 135.87 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 3.6 ttp -104.14 140.66 37.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.3 m -154.65 135.58 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 42.2 mt -95.32 95.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 2.3 mm? -86.76 157.2 55.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.643 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.01 -43.86 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.643 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -15.5 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 54' ' ' PRO . 3.4 tttt 72.25 12.64 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.01 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -51.26 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -102.22 125.0 48.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 19.1 m -148.26 153.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 157.38 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.402 HG22 ' CG2' ' A' ' 28' ' ' ILE . 73.5 p -89.6 144.49 25.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -38.22 147.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.42 HG23 ' CB ' ' A' ' 47' ' ' TYR . 3.0 t -95.15 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 73' ' ' PHE . 1.4 mm? -56.31 178.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' LYS . 6.8 mmt-85 -130.39 113.47 14.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 48.7 mttt 48.56 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER 174.61 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.27 0.53 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 21.9 t0 -142.8 64.35 14.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.49 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 150.99 38.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -127.95 106.97 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' HD22 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -91.37 -41.53 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 32.0 t0 39.7 50.83 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.7 mt-10 -89.05 176.28 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.476 HG22 ' CG1' ' A' ' 25' ' ' VAL . 2.6 m -158.93 131.31 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.82 133.73 53.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.542 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.6 m -101.98 156.21 17.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 78' ' ' THR . 21.6 m-85 -153.8 137.87 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -120.65 145.89 46.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.69 -25.6 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.426 HD11 ' CB ' ' A' ' 24' ' ' PHE . 2.0 mp -65.54 123.44 84.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.591 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.06 14.48 0.86 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.591 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 18.1 t80 67.34 -56.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 69.3 p -55.54 -17.5 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.0 -15.97 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 84' ' ' TYR . 27.2 mm -52.39 -38.91 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.48 -9.01 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.06 13.22 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.497 ' CD2' ' CD ' ' A' ' 55' ' ' GLU . 81.3 mt -106.58 178.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.92 129.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -90.73 113.54 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 19.8 t-80 -95.58 105.62 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.498 ' CD2' HD11 ' A' ' 11' ' ' LEU . 37.2 m-85 -97.34 108.02 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.9 m -99.06 117.66 34.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.487 ' CD1' HG12 ' A' ' 131' ' ' ILE . 4.9 mp -90.07 88.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -96.21 -165.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.27 110.06 3.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -96.47 141.01 30.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -165.29 64.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.601 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 45.08 -170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.601 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 60.3 m-85 44.98 25.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 40.15 83.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -114.7 120.75 41.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.94 96.54 6.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.44 85.5 2.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.6 mt -63.46 104.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.442 ' CG2' HD23 ' A' ' 8' ' ' LEU . 13.3 mt -65.42 -30.02 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 177.55 169.96 39.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -123.24 135.2 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.1 144.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 tp -140.08 140.8 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.563 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.8 tp -139.38 94.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.15 5.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 92' ' ' LEU . 29.7 mt -74.96 -1.08 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.6 t -64.23 91.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.61 -30.4 5.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.429 HG21 ' CE ' ' A' ' 125' ' ' MET . 2.7 mm -57.85 147.8 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -122.09 102.97 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 121' ' ' SER . 11.4 mt -93.88 -17.34 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 54.8 p -37.36 -57.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.61 -46.9 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 159.69 -141.32 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -90.84 141.04 29.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.429 ' CE ' HG21 ' A' ' 118' ' ' ILE . 14.8 ptp -134.38 140.45 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -87.65 140.33 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.447 ' CE ' HG12 ' A' ' 113' ' ' ILE . 6.3 mtm -143.73 155.76 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.88 159.66 40.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -144.91 143.42 30.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.81 141.0 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.487 HG12 ' CD1' ' A' ' 96' ' ' ILE . 6.9 mt -99.01 121.42 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.16 -172.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t -86.35 79.59 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.73 156.82 0.03 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 66.19 6.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.97 104.71 8.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 72.6 m 46.25 92.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.64 148.79 44.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 p -156.07 -54.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.85 -176.01 19.0 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -51.01 134.6 26.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.05 167.86 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.9 169.53 20.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD23 ' CG2' ' A' ' 108' ' ' ILE . 83.8 mt -117.85 -91.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.434 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -161.36 -160.84 11.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.463 ' CA ' HD12 ' A' ' 131' ' ' ILE . 72.6 m -124.47 171.46 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.451 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -138.38 122.57 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.517 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 19.0 m-85 -106.86 143.39 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CD1' HD13 ' A' ' 11' ' ' LEU . 7.1 p90 -170.83 171.06 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 125' ' ' MET . 2.6 p -147.7 131.78 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.79 144.62 25.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.5 tt0 -155.62 125.35 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 67.8 t80 -102.84 128.81 49.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 23' ' ' ALA . 20.0 t30 -75.28 85.99 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.4 -47.99 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -59.62 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.6 mtp180 -101.61 23.79 10.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 35.38 70.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -133.67 171.21 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.468 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.7 t80 -116.52 128.19 55.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.573 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 2.5 t -118.57 126.36 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 61.2 t -114.53 94.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 10.9 t-20 -79.96 125.99 30.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' LYS . 86.2 mt -108.19 100.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.6 tttp -61.12 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.44 172.46 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.58 137.48 52.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.9 47.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' HA3' ' CA ' ' A' ' 9' ' ' GLY . . . 106.22 46.67 1.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 2.3 mt -107.57 115.61 59.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.65 157.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.3 mmt -114.62 -25.39 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.52 -174.6 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.06 -58.21 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -38.19 -47.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -127.94 113.96 16.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.94 78.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.462 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 9.2 t -176.13 171.06 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.527 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 p -165.71 176.62 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -118.23 72.97 9.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.03 149.21 36.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 9.2 p90 -145.84 138.84 25.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.54 133.21 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' A' ' 61' ' ' LYS . 14.7 mttt -105.07 124.13 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.442 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 5.0 ttp -96.6 149.8 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -155.12 129.43 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.5 mt -85.9 90.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.49 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 55.9 mt -86.25 157.27 56.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.03 -22.73 13.58 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 54' ' ' PRO . 15.6 mt-10 -25.62 -64.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 tttt 74.84 3.76 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -73.3 -66.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.433 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 50.8 m-70 -62.47 94.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.94 119.48 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 14.3 m -137.62 145.03 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -124.97 156.83 37.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.522 ' HB ' ' CG ' ' A' ' 73' ' ' PHE . 40.5 p -90.2 146.76 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -42.42 147.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.7 t -90.33 98.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.407 HD23 ' CE1' ' A' ' 73' ' ' PHE . 1.3 mm? -54.91 166.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -121.29 125.76 47.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 14.4 mttt 42.91 84.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 68' ' ' THR . 1.0 OUTLIER -177.83 119.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.5 mm? -74.88 -28.46 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -116.15 87.43 19.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.94 159.57 41.38 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.74 90.62 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.522 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 2.4 m-85 -80.69 -43.09 20.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 73' ' ' PHE . 61.7 t0 38.04 43.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.7 mm-40 -87.95 -178.25 5.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.573 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 3.9 m -156.24 123.73 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 41.7 m-85 -115.28 127.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -98.82 157.49 16.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 32.6 m-85 -155.99 119.37 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.23 155.58 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.87 -44.43 1.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 87' ' ' ILE . 2.4 mp -49.77 114.06 3.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.546 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.66 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.546 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 23.2 t80 67.23 -57.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 70.5 p -55.63 -17.51 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -88.39 -11.91 44.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 82' ' ' ILE . 7.7 mm -56.17 -36.92 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.25 -6.05 26.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -111.22 9.91 21.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 69.6 mt -109.13 -175.63 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -178.0 124.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.445 ' HB2' HG21 ' A' ' 113' ' ' ILE . 15.7 mt -88.04 132.42 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 36.7 t-80 -115.66 106.94 14.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.51 ' CD2' HD11 ' A' ' 11' ' ' LEU . 29.5 m-85 -97.91 122.64 41.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.8 m -115.18 120.59 40.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 3.1 mp -90.22 87.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -92.28 -163.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.89 103.48 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -87.13 106.95 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 101' ' ' ARG . 12.0 m-20 -92.37 48.51 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER 33.77 42.18 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -153.6 26.19 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' ARG . 0.3 OUTLIER 73.51 -57.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.046 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' SER . 16.0 mmt-85 -36.98 126.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.93 130.88 54.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.76 100.7 9.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.9 mt -63.97 108.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.464 ' CG2' HD23 ' A' ' 8' ' ' LEU . 12.1 mt -76.49 -46.96 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.27 167.98 35.12 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -122.43 131.97 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 112' ' ' LEU . 55.2 t -125.29 138.53 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.409 ' N ' HG11 ' A' ' 111' ' ' VAL . 8.0 tp -134.94 142.67 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.594 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.2 tp -140.73 96.97 7.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.2 5.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.759 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.4 mt -77.79 2.22 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.0 t -68.1 91.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.86 -28.76 5.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.0 mm -65.3 149.15 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.513 ' O ' ' CE ' ' A' ' 125' ' ' MET . 0.0 OUTLIER -126.06 140.19 52.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.3 mt -126.68 14.72 7.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -62.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -46.53 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 164.31 -139.0 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -96.73 146.11 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.8 ptp -132.79 160.92 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -105.35 140.26 38.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.456 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.5 mtm -142.75 150.35 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -135.37 162.85 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.49 146.01 23.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.61 146.3 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.463 HD12 ' CA ' ' A' ' 10' ' ' THR . 8.8 mt -106.13 125.1 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.78 -172.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t -93.65 76.55 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.41 153.16 2.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.03 40.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.453 1.765 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.18 -59.76 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 m -108.55 169.73 8.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -117.14 160.55 20.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -104.66 98.32 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.069 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.8 112.89 1.66 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -132.34 144.0 50.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.72 84.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.38 136.64 0.86 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 131' ' ' ILE . 3.3 mm? -84.44 10.18 11.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.45 -177.03 16.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.416 ' CA ' HD12 ' A' ' 131' ' ' ILE . 59.3 m -117.25 167.77 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -136.05 122.15 20.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 33.9 m-85 -107.79 136.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -160.31 173.38 15.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.8 129.81 14.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD13 ' CD1' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -89.71 136.27 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.7 tt0 -144.7 127.04 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -104.87 134.7 47.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' LYS . 12.7 t-20 -83.4 60.75 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 17.5 m-85 -41.59 -50.28 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.8 -47.83 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.1 mtp180 -107.26 22.81 15.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.5 mmtt 37.18 69.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' ASN . . . -142.02 172.76 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CZ ' HG23 ' A' ' 26' ' ' VAL . 6.9 t80 -121.3 140.08 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 77' ' ' PHE . 4.1 t -131.2 128.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.583 HG23 ' CZ ' ' A' ' 24' ' ' PHE . 44.5 t -115.58 93.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.57 127.92 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 62' ' ' THR . 5.4 mt -108.43 99.56 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.21 -137.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.428 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 10.8 pt-20 -113.87 175.0 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.59 154.34 46.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.66 143.12 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 94.82 32.32 7.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 mt -92.6 120.38 67.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.77 15.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.47 114.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.64 -40.54 63.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.72 170.13 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' SER . 16.1 mm-40 -93.59 -109.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 67.2 -64.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -150.04 33.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.06 61.8 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.412 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 5.0 t -165.77 176.99 7.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.531 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 p -165.68 176.53 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 48.8 m-20 -117.96 73.24 9.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.95 145.42 31.62 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 38.0 p90 -142.49 139.17 31.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.5 mt -93.16 136.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -103.36 155.96 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.483 ' HE3' ' CZ ' ' A' ' 79' ' ' PHE . 6.0 ttp -123.74 150.04 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.48 ' CG2' ' HG3' ' A' ' 56' ' ' LYS . 14.9 m -160.49 138.09 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.45 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 8.1 mt -96.37 92.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.4 mm? -83.91 156.42 64.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.0 -24.49 11.32 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.051 -0.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -24.4 -68.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' HG3' ' CG2' ' A' ' 51' ' ' THR . 53.0 tttt 81.08 -2.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.0 mmtt -66.67 -84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -47.44 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.646 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -111.71 124.21 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 12.3 m -137.41 146.18 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -125.27 163.09 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.458 ' CG2' HD12 ' A' ' 28' ' ' ILE . 21.6 p -102.92 155.34 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 125.63 25.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -77.2 128.54 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.406 HD22 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -72.56 167.55 20.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -111.1 116.43 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 18.1 mttt 53.75 82.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -175.28 126.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 69' ' ' LEU . 3.0 mm? -83.92 -20.61 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 p-10 -118.63 80.2 16.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.568 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -75.04 148.35 35.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -128.72 92.37 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 3.6 m-85 -81.83 -45.98 14.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t70 42.24 43.81 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.16 -177.67 6.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.48 HG22 ' CG1' ' A' ' 25' ' ' VAL . 3.1 m -160.97 126.76 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.498 ' O ' ' CG1' ' A' ' 25' ' ' VAL . 27.0 m-85 -112.35 162.14 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 5.2 m -132.23 154.08 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 78' ' ' THR . 24.2 m-85 -156.51 129.07 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -111.88 143.93 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.69 -22.35 8.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 84' ' ' TYR . 3.0 mp -64.76 117.78 41.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.572 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 17.19 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.572 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 19.3 t80 66.4 -56.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.4 p -55.37 -17.85 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.61 -13.73 50.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 82' ' ' ILE . 16.6 mm -56.39 -54.77 24.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.41 -30.76 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -82.73 -26.52 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.45 ' HG ' ' CG2' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -66.7 -170.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 176.16 120.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 15' ' ' LEU . 12.8 mt -84.26 143.05 29.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -126.23 105.3 8.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.444 ' CD2' HD13 ' A' ' 11' ' ' LEU . 23.1 m-85 -93.44 115.48 28.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 m -108.62 122.49 47.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.85 91.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 107' ' ' ILE . 4.4 mp -98.33 -164.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.9 t -152.72 133.43 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -110.3 139.98 44.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.96 58.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.445 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER 65.43 -83.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 77.8 m-85 -89.66 -50.59 5.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.2 m -71.37 62.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -110.64 154.08 24.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 104' ' ' ARG . 9.5 t70 78.74 8.21 2.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.36 89.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.47 HG13 ' CD2' ' A' ' 97' ' ' LEU . 36.8 mt -63.09 121.05 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.0 mt -96.0 -31.56 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.36 170.81 41.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.77 135.69 49.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.9 t -131.92 145.31 35.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.9 tp -143.36 142.11 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -139.65 97.88 8.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.13 6.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.437 ' CD1' HG21 ' A' ' 87' ' ' ILE . 29.3 mt -73.48 -3.84 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.1 t -55.68 97.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.93 -29.7 9.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.475 HG21 ' CE ' ' A' ' 125' ' ' MET . 1.9 mm -50.78 140.79 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 6.5 pt-20 -118.13 116.86 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 67.1 mt -108.61 -11.84 15.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 13.0 t -48.57 -56.02 9.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -46.85 -38.64 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . 144.0 155.68 6.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.1 OUTLIER -39.86 143.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.475 ' CE ' HG21 ' A' ' 118' ' ' ILE . 2.7 ptt? -135.87 154.46 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.41 138.66 31.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.44 ' CE ' HG12 ' A' ' 113' ' ' ILE . 1.7 mtm -142.21 146.73 35.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.36 165.22 21.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.5 147.43 24.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -88.65 144.64 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 8' ' ' LEU . 7.2 mt -106.21 114.36 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.48 -172.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.2 t -82.95 70.44 9.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.84 156.49 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 121.57 6.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.5 t -176.62 111.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.73 106.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.29 95.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -174.65 103.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.66 -158.76 8.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -161.73 -53.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.87 114.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.51 151.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 131' ' ' ILE . 9.4 mt -82.1 -28.08 32.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 121.19 177.41 15.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.489 HG22 ' CE1' ' A' ' 12' ' ' PHE . 29.2 m -117.02 159.25 22.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD12 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -125.35 122.07 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 11.5 m-85 -104.92 137.19 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.504 ' CD1' HD11 ' A' ' 11' ' ' LEU . 9.8 p90 -166.03 167.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.5 t -142.26 146.0 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.4 142.38 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -153.56 122.13 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 54.1 t80 -99.78 131.96 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' LYS . 8.0 t-20 -76.53 95.3 3.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.09 -32.0 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.57 -43.85 95.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.8 mtp85 -114.08 21.49 14.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASN . 3.7 mmtt 36.99 69.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 18' ' ' ASN . . . -136.75 177.93 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -122.53 138.19 54.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.538 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 2.4 t -131.68 123.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 85.1 t -114.51 88.36 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -68.82 131.32 44.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.474 HD13 ' CG2' ' A' ' 62' ' ' THR . 4.6 mt -110.51 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -63.27 -141.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -114.29 167.92 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.02 139.56 52.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 142.39 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 85.04 50.89 3.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 mp -99.1 125.2 42.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 139.88 24.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.58 144.63 47.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.7 mmt -98.35 -48.76 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -87.09 162.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -115.11 63.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -113.6 -69.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -131.68 43.55 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.403 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.1 OUTLIER 39.98 55.1 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.407 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 14.8 t -156.88 160.41 39.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.525 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.1 m -156.52 176.45 12.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -118.84 72.47 11.3 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.98 168.04 25.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 97' ' ' LEU . 36.3 p90 -165.56 138.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 49' ' ' LYS . 15.4 mt -91.87 141.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 48' ' ' ILE . 8.9 mttt -113.51 126.41 55.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.433 ' SD ' ' N ' ' A' ' 51' ' ' THR . 4.2 tmm? -96.21 148.85 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.483 ' CG2' ' HG3' ' A' ' 56' ' ' LYS . 98.8 m -157.93 129.22 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 3.4 mt -87.41 101.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.5 mt -90.36 158.32 43.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.631 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.01 -39.94 1.33 Allowed 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.631 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -16.58 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HG3' ' CG2' ' A' ' 51' ' ' THR . 2.6 tttt 74.02 13.6 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -71.16 -78.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -52.79 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.595 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 57' ' ' LYS . 50.1 mtpt -106.35 116.03 31.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 15.7 m -128.51 148.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -128.2 148.82 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.474 ' CG2' HD13 ' A' ' 28' ' ' ILE . 64.2 p -88.53 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 124.3 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -74.14 128.03 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.93 170.9 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -112.67 129.69 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 10.7 mttt 40.26 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -175.31 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -97.26 7.82 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 85.68 4.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 149.74 37.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.8 89.65 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' ASP . 3.1 m-85 -78.03 -43.5 29.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' PHE . 6.2 p-10 37.5 42.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 179.17 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.538 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 2.8 m -152.49 126.99 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -116.78 120.15 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.459 HG23 ' CZ ' ' A' ' 80' ' ' TYR . 1.1 m -96.81 141.96 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.449 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -135.94 121.19 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.459 ' CZ ' HG23 ' A' ' 78' ' ' THR . 80.0 m-85 -101.91 131.25 48.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.9 -44.86 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 HG21 ' CD2' ' A' ' 90' ' ' LEU . 3.9 mp -43.9 117.53 2.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.575 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.97 15.7 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.575 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 27.1 t80 68.65 -56.76 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.7 p -57.14 -16.19 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.14 -11.29 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 115' ' ' LEU . 7.6 mm -56.41 -53.19 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 116' ' ' SER . 20.5 mt-30 -49.89 -24.54 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.13 -24.87 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -66.76 -177.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 179.65 131.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.482 ' CD2' HD23 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -93.96 132.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 29.1 t-80 -115.43 104.52 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' A' ' 11' ' ' LEU . 33.0 m-85 -97.71 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 47.7 m -107.96 121.86 45.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.446 ' CD1' HG12 ' A' ' 131' ' ' ILE . 5.3 mp -90.15 92.74 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.1 mp -94.51 -166.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -156.1 119.77 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 10.3 t80 -88.4 137.42 32.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 9.4 m-20 -170.26 74.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.522 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 1.4 mmt85 41.0 87.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CE2' ' HD3' ' A' ' 101' ' ' ARG . 8.1 m-85 39.09 67.86 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.79 20.98 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 55.55 41.31 30.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.04 94.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.76 87.77 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.1 mt -70.34 124.77 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.41 ' CG2' HD21 ' A' ' 8' ' ' LEU . 18.6 mt -93.4 -43.59 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.76 160.04 33.39 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.75 139.66 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.75 149.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -150.71 142.91 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.614 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.8 OUTLIER -139.33 98.26 8.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.4 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 92' ' ' LEU . 21.8 mt -82.04 6.43 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -70.97 57.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.84 -33.38 0.39 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -68.62 136.89 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 7.0 pt-20 -121.38 124.45 44.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.4 mt -107.36 -1.66 21.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.9 -36.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -55.37 10.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.96 -144.65 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -89.66 145.38 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 8.8 ptp -141.0 138.31 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 127' ' ' MET . 0.0 OUTLIER -80.02 142.3 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.454 ' CE ' HG12 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -142.3 146.99 35.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.74 135.75 40.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.21 148.24 49.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.61 147.22 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 8' ' ' LEU . 7.4 mt -103.55 128.62 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.0 pp -142.92 -171.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t -86.16 73.58 10.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.71 151.88 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 60.95 5.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.9 t -171.75 123.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.4 151.76 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.7 146.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -162.89 168.93 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.034 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.04 -77.31 0.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p 46.77 74.01 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -159.78 163.79 34.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.42 119.41 5.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.3 mm? -54.56 -77.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . -176.65 -158.55 20.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.4 ' CA ' HD12 ' A' ' 131' ' ' ILE . 94.2 m -119.41 174.12 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -144.64 115.95 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 14.1 m-85 -99.43 138.7 36.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 127' ' ' MET . 2.3 p90 -165.37 171.7 13.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.16 146.99 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 92' ' ' LEU . 5.7 mt -111.06 146.13 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.6 tp10 -157.45 137.48 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 39.5 t80 -112.08 121.29 44.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 22' ' ' LYS . 54.0 t-20 -69.72 74.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 2.6 m-85 -49.4 -45.85 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -43.53 -50.84 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.7 mtp180 -112.19 25.67 11.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 35.64 67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' ASN . . . -131.65 167.42 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.678 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.7 t80 -112.53 135.43 53.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.543 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 22.6 t -127.4 122.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.678 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 79.5 t -116.4 95.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -78.25 140.61 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 62' ' ' THR . 8.2 mt -117.87 100.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -61.64 -137.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.481 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.38 175.57 5.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.57 131.54 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.61 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.45 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 91.22 61.46 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 33' ' ' GLY . 8.1 mt -115.63 124.04 30.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.75 15.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.02 141.13 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.474 ' CE ' HG12 ' A' ' 108' ' ' ILE . 13.3 mmt -92.47 -39.57 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.78 177.81 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.45 -50.65 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -40.75 -42.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.5 OUTLIER -132.62 120.82 22.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.97 69.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.457 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 9.0 t -168.12 170.2 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.502 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.48 176.86 7.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -121.32 71.4 24.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -74.99 149.34 36.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 97' ' ' LEU . 46.5 p90 -141.92 138.03 31.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.424 HG21 ' N ' ' A' ' 49' ' ' LYS . 22.2 mt -92.37 144.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' N ' HG21 ' A' ' 48' ' ' ILE . 8.8 mttm -106.09 160.6 15.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 2.5 ttp -135.97 129.66 32.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.481 ' CG2' ' HA ' ' A' ' 56' ' ' LYS . 8.3 m -141.67 137.28 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.2 mt -91.41 91.91 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.2 mm? -84.86 156.3 61.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -24.33 11.53 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.979 0.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -23.88 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 12.1 tttt 78.84 2.95 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.9 mmtt -69.19 -90.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -44.43 96.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.3 mtpt -105.04 119.46 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 17.4 m -134.65 149.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.96 162.26 32.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.461 ' CG2' HD11 ' A' ' 28' ' ' ILE . 19.4 p -91.79 164.96 13.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -59.46 165.3 2.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -107.97 100.25 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.21 165.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -120.29 128.58 53.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 18.2 mttt 43.79 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -177.56 139.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 mt -93.22 -22.89 18.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -119.73 87.59 37.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.99 136.35 20.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -116.3 93.32 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 71' ' ' PRO . 2.9 m-85 -83.26 -45.09 14.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' PHE . 4.2 m-20 39.64 44.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.7 -178.57 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.543 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 19.4 m -159.05 127.24 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -115.91 135.18 54.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.409 ' C ' ' CG ' ' A' ' 79' ' ' PHE . 3.6 m -103.03 157.5 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.439 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.412 ' CZ ' ' HE1' ' A' ' 50' ' ' MET . 36.9 m-85 -155.2 125.69 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -103.27 153.0 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.27 -57.9 0.87 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 2.9 mp -44.96 109.32 0.88 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.96 134.54 18.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.469 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 19.5 t80 -47.83 -28.78 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.7 p -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -84.67 -20.77 30.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 12.8 mm -50.71 -45.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -61.42 -12.59 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.5 10.21 25.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 86' ' ' GLN . 76.3 mt -107.16 -178.46 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -175.22 124.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.483 ' CD1' HD22 ' A' ' 15' ' ' LEU . 15.1 mt -89.47 136.71 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -117.32 106.13 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 29.2 m-85 -93.06 114.79 27.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.468 ' CG2' HG22 ' A' ' 107' ' ' ILE . 22.9 m -109.44 117.57 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 131' ' ' ILE . 4.0 mp -87.49 98.2 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.625 ' CB ' ' CZ ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -88.97 -171.45 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.8 101.99 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.464 ' CG ' ' N ' ' A' ' 100' ' ' ASP . 87.7 t80 -100.13 171.83 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.464 ' N ' ' CG ' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -179.86 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -147.43 -50.66 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -144.59 54.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.2 p -77.64 -19.25 55.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.033 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 48.61 59.24 4.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 48.15 95.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.98 82.99 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.478 HG13 ' CD1' ' A' ' 97' ' ' LEU . 39.5 mt -60.4 105.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' ILE . 80.4 mt -64.26 -43.46 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.75 177.04 34.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -128.96 140.21 51.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.2 t -136.32 143.8 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 tp -136.96 147.83 46.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.57 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.6 tp -145.44 95.68 4.97 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.05 5.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.28 1.66 18.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.7 t -63.23 94.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.27 -25.55 9.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.69 140.61 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' C ' ' OE1' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -123.99 134.96 53.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.5 mt -120.73 15.53 11.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -50.78 72.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 165.5 -140.06 6.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 146.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.8 ptp -132.94 150.79 52.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.01 139.57 33.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 13' ' ' PHE . 4.8 mtm -143.55 151.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.62 144.46 46.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -133.23 146.26 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 142.77 27.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.476 HG12 ' CD1' ' A' ' 96' ' ' ILE . 4.7 mt -101.6 120.26 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.35 -172.6 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.2 t -87.02 75.77 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 64.52 156.2 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.07 16.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.81 77.92 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.5 t -77.53 139.54 39.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.98 154.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 p -166.14 166.08 17.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.027 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.5 74.78 2.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -146.46 152.1 38.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -116.13 88.88 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.54 132.27 6.25 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.6 mm? -68.34 -89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.1 -165.95 19.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 m -120.23 164.57 16.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 tp -130.93 139.72 50.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -123.37 141.62 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 6.5 p90 -169.45 162.4 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 p -132.95 124.39 27.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' CD2' HD23 ' A' ' 92' ' ' LEU . 2.5 mt -87.92 140.26 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -152.19 118.08 5.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 29.6 t80 -103.89 131.87 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 23' ' ' ALA . 63.0 t-20 -79.61 122.4 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.8 m-85 -89.73 -32.74 16.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.37 -44.33 84.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.0 mtp180 -117.92 23.51 11.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER 36.54 63.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' CD2' ' A' ' 17' ' ' TYR . . . -120.41 172.21 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CB ' HD12 ' A' ' 82' ' ' ILE . 5.3 t80 -125.99 123.22 38.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG1' HG22 ' A' ' 76' ' ' THR . 2.3 t -115.78 117.74 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -111.78 90.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 10.5 t-20 -73.06 136.73 45.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' LYS . 11.7 mt -114.02 101.77 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.06 -135.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.3 pt-20 -114.21 174.07 6.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.52 141.49 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -134.42 134.41 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 102.99 47.14 1.38 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.52 116.31 57.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.54 13.36 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.43 1.753 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.82 149.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -39.77 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -95.0 156.25 16.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -112.67 64.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -120.84 -64.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.03 40.59 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 49.23 48.68 20.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 67' ' ' LYS . 13.1 t -160.88 154.85 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.495 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.0 p -139.67 177.69 7.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -116.43 75.88 6.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.08 153.84 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 8.7 p90 -152.3 137.15 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.78 128.37 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.49 125.01 39.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.446 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 3.8 ttp -96.52 134.45 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 56' ' ' LYS . 86.8 m -148.18 125.53 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.4 mt -81.45 93.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 93' ' ' HIS . 29.1 mt -86.51 158.45 54.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.02 -19.88 17.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.02 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -28.19 -69.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 0.8 OUTLIER 79.4 2.31 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 17.6 mmtt -71.03 -83.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -50.0 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.584 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -107.27 129.67 54.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 9.1 m -140.69 149.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -126.33 168.48 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 p -84.94 178.25 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.92 4.06 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.6 t 50.89 98.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.544 ' CB ' ' HB3' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -61.22 163.14 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -116.04 107.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 68' ' ' THR . 12.6 mttt 56.62 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.95 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.26 -5.13 40.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -141.25 68.35 26.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.544 ' HB3' ' CB ' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 155.3 42.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.13 102.09 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CE1' HD23 ' A' ' 65' ' ' LEU . 3.3 m-85 -82.63 -45.62 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 40.9 43.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -85.51 -175.92 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.466 HG22 ' CG1' ' A' ' 25' ' ' VAL . 2.9 m -158.12 129.73 6.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 51.4 m-85 -126.23 121.96 34.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -97.44 158.28 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 78' ' ' THR . 36.9 m-85 -155.85 131.86 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -110.28 138.26 46.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.5 -31.96 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' C ' ' H ' ' A' ' 84' ' ' TYR . 2.0 mt -63.04 116.11 22.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.61 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.576 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 27.8 t80 67.13 -57.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 42.5 p -56.11 -17.73 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.0 tt0 -89.21 -11.65 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 6.1 mm -56.06 -45.04 80.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.413 ' CA ' ' HA ' ' A' ' 116' ' ' SER . 9.8 mt-30 -60.2 -13.35 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -104.11 10.57 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 83.1 mt -109.52 -177.98 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -176.32 122.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.43 HD23 ' CD2' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -83.61 114.38 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 20.9 t-80 -94.03 104.98 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -96.71 109.84 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 97' ' ' LEU . 22.5 m -102.91 120.29 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.1 mp -93.34 87.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.8 mp -95.26 -162.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.29 122.92 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -102.36 132.8 48.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.06 -82.1 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 -45.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -89.07 -52.9 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.29 -66.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 38.86 76.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.22 81.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.89 89.0 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 32.8 mt -65.14 111.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -79.88 -29.1 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.88 176.95 46.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.67 131.96 45.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t -127.77 147.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 tp -146.81 139.53 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.571 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 4.1 tp -134.12 94.73 17.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.0 mt -77.88 2.61 16.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.413 ' HA ' ' CA ' ' A' ' 88' ' ' GLN . 31.1 t -60.41 87.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.3 -21.88 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.436 HG21 ' CE ' ' A' ' 125' ' ' MET . 2.4 mm -65.72 148.97 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 125' ' ' MET . 4.5 pt-20 -124.94 122.21 36.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' GLU . 32.4 mt -122.49 46.51 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.58 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -67.74 66.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.047 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.525 ' HG3' ' CG ' ' A' ' 19' ' ' PHE . 6.6 mt-10 66.45 8.01 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.24 112.97 3.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -79.07 128.71 33.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.7 ptp -125.51 137.9 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.26 140.22 32.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.478 ' CE ' HG12 ' A' ' 113' ' ' ILE . 2.2 mtm -141.65 153.77 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -136.4 160.82 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.462 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 12.6 mmt-85 -146.09 148.83 33.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -96.55 137.92 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.6 121.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.56 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.2 t -86.78 77.7 9.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.49 158.07 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -67.38 95.72 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 t 62.11 166.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -84.98 162.44 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.01 124.43 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.31 134.57 1.82 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.84 155.18 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.41 139.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.98 127.23 3.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 ' CB ' HG22 ' A' ' 131' ' ' ILE . 23.2 mt -74.43 -93.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.7 -165.65 18.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.465 ' CA ' HD13 ' A' ' 131' ' ' ILE . 56.5 m -121.65 169.07 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -136.51 118.68 15.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 14.5 m-85 -104.94 139.73 39.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.1 p90 -163.83 163.79 23.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 p -136.5 118.72 15.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -78.62 150.28 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' VAL . 13.1 tt0 -161.97 132.19 4.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 76.8 t80 -111.91 131.66 55.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -79.81 95.33 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.19 -43.8 93.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.41 -56.2 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.4 mtt-85 -103.87 20.11 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.0 mttt 36.02 68.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -129.82 169.49 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CZ ' ' CD1' ' A' ' 115' ' ' LEU . 5.1 t80 -113.4 124.95 53.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.1 t -114.54 134.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -126.72 94.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.494 ' HA ' ' CB ' ' A' ' 76' ' ' THR . 1.0 OUTLIER -82.69 121.4 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 29' ' ' LYS . 10.2 mt -100.72 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.66 -135.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.33 171.71 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 127.46 41.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -115.0 136.27 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 101.21 50.63 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.476 HD11 ' CG ' ' A' ' 71' ' ' PRO . 3.6 mt -103.03 113.46 65.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.67 157.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt -114.83 -32.17 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -90.74 167.23 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.9 -18.42 12.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -70.11 -37.5 75.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.5 146.56 44.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.448 ' CE ' ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -83.21 46.65 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.6 t -146.7 172.01 14.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.456 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -165.15 175.23 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -125.07 70.02 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.456 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.94 169.54 22.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 45.9 p90 -163.71 138.53 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 70.7 mt -92.99 142.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -112.07 130.57 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' A' ' 51' ' ' THR . 4.2 tmm? -96.51 149.76 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.1 m -156.08 130.35 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 79' ' ' PHE . 5.6 mt -89.96 86.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.5 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 79.5 mt -83.08 156.46 66.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.66 13.68 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.963 0.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -26.21 -68.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' HD2' ' CD2' ' A' ' 53' ' ' LEU . 0.6 OUTLIER 77.7 7.1 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.92 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -46.53 94.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' LYS . 13.1 mtpt -105.22 122.56 46.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 77' ' ' PHE . 7.0 m -135.09 154.69 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -130.56 157.76 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.549 ' HB ' ' CG ' ' A' ' 73' ' ' PHE . 25.4 p -97.08 131.87 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.49 126.81 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.68 127.46 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 71' ' ' PRO . 3.8 mm? -70.97 170.65 12.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' LYS . 15.6 mmt-85 -111.42 124.32 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' ARG . 10.7 mttp 40.92 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.23 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 t -175.5 147.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' CD1' ' CE ' ' A' ' 42' ' ' MET . 4.9 mt -104.67 -9.52 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -132.14 80.01 65.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.476 ' CG ' HD11 ' A' ' 34' ' ' LEU . 18.1 Cg_endo -75.02 146.43 32.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.779 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.45 93.76 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 19.5 m-85 -79.02 -39.24 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' PHE . 22.5 t0 38.73 30.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.691 ' CG ' ' CE1' ' A' ' 77' ' ' PHE . 3.9 tp10 -96.89 143.4 27.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.494 ' CB ' ' HA ' ' A' ' 27' ' ' ASN . 1.5 t -126.65 141.77 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.691 ' CE1' ' CG ' ' A' ' 75' ' ' GLU . 19.1 m-85 -122.45 124.57 43.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -86.7 166.38 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 78' ' ' THR . 51.7 m-85 -158.59 107.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -86.58 144.41 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.36 -41.43 1.68 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' C ' ' H ' ' A' ' 84' ' ' TYR . 2.9 mp -51.94 118.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 16.84 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.443 1.759 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.547 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 31.9 t80 68.69 -56.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' PRO . 75.8 p -58.28 -15.78 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -91.28 -10.28 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 5.0 mm -55.65 -35.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -74.22 -2.47 25.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.92 13.97 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.073 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.6 mt -109.49 -167.85 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 176.18 123.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' CD1' HD12 ' A' ' 15' ' ' LEU . 15.4 mt -89.1 128.78 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 33.8 t-80 -111.45 106.12 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.572 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 29.2 m-85 -94.74 111.77 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.7 m -103.54 123.64 47.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.555 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 1.8 mp -93.4 86.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mp -94.96 -166.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.8 t -153.16 124.9 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -75.05 131.22 40.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -122.51 151.22 41.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -70.84 59.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 101' ' ' ARG . 16.0 m-85 -166.69 -83.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.11 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -46.94 151.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.75 106.05 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.59 101.14 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.8 mt -67.24 105.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.451 ' CG2' HD21 ' A' ' 8' ' ' LEU . 16.4 mt -67.09 -39.37 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.0 164.31 36.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -121.64 131.8 54.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.16 149.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 tp -141.86 149.22 39.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.584 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.7 tp -149.81 98.23 3.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.01 6.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 24' ' ' PHE . 15.2 mt -77.51 0.3 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.1 t -64.32 94.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.28 -25.8 7.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.66 139.96 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -122.82 113.77 19.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.7 mt -92.55 4.86 52.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.454 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -47.31 -61.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -41.49 -50.22 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 159.04 -138.2 5.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -88.61 125.54 34.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 19.4 ptp -112.98 152.16 29.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.95 134.95 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 4.6 mtm -142.61 154.85 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.77 164.7 27.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.435 ' CG ' HD11 ' A' ' 113' ' ' ILE . 1.9 mmt180 -152.82 146.08 24.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -88.28 140.53 29.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.221 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.47 HG22 ' CB ' ' A' ' 8' ' ' LEU . 4.7 mt -97.74 119.34 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.66 -170.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 t -97.28 72.37 2.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.28 153.53 2.45 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 166.34 29.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.84 128.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.961 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.4 m -111.59 -57.87 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -162.59 108.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.33 170.04 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.26 153.41 17.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -155.02 114.02 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.38 168.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.6 147.75 16.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.491 ' CB ' HG23 ' A' ' 131' ' ' ILE . 3.3 mm? -74.58 -92.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 -168.53 18.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.9 m -122.97 161.25 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.455 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.587 HD23 ' CD2' ' A' ' 94' ' ' PHE . 2.1 tp -124.52 147.05 48.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.43 ' N ' HD12 ' A' ' 11' ' ' LEU . 15.9 m-85 -128.41 137.03 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -168.79 159.82 9.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.475 ' OG ' ' CD2' ' A' ' 126' ' ' LEU . 0.2 OUTLIER -137.2 120.87 17.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -76.61 138.29 40.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -144.43 125.94 14.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 61.5 t80 -102.47 124.23 47.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LYS . 33.2 t-20 -70.34 60.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -42.14 -45.77 4.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.46 -44.59 25.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -114.33 23.6 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASN . 8.5 mttt 37.89 66.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -135.98 168.94 18.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.628 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.1 t80 -111.62 126.01 54.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.1 t -122.05 120.84 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.628 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 65.6 t -110.33 98.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 2.5 t-20 -83.39 111.18 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.6 mt -94.52 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -62.58 -137.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.1 pt-20 -113.83 174.59 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.75 139.06 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -131.6 136.4 47.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 106.94 37.94 2.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 34' ' ' LEU . 6.5 mt -98.87 115.61 65.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.06 164.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.8 mmt -116.63 -40.69 3.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -111.32 177.7 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' GLN . 1.3 pt-20 -108.52 -5.72 16.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' GLU . 7.1 mt-30 -37.74 -81.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.31 35.52 4.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 45.41 64.21 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.438 HG21 ' CG ' ' A' ' 67' ' ' LYS . 10.2 t -168.0 -179.9 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.515 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.66 176.49 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.45 71.25 17.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 179.28 6.24 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.654 ' CE2' ' CD2' ' A' ' 97' ' ' LEU . 55.5 p90 -178.4 144.72 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mt -92.11 139.54 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 93' ' ' HIS . 15.1 mttt -106.24 125.08 50.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.459 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 3.3 ttp -96.27 149.09 22.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.0 m -159.14 129.85 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.9 mt -88.54 89.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.2 mm? -84.93 156.41 60.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.93 -24.31 11.51 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.006 -0.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.562 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.3 mt-10 -24.92 -64.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 tttt 72.26 4.95 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 9.1 tppt? -75.37 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 43.6 m-70 -65.54 74.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LYS . 5.4 ttmt -92.15 123.67 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 11.0 m -140.15 148.25 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -129.39 152.87 48.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 63' ' ' ARG . 70.0 p -93.52 133.35 36.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -35.99 150.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.463 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -103.93 96.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.439 HD13 ' CA ' ' A' ' 71' ' ' PRO . 1.5 mt -55.78 154.97 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 67' ' ' LYS . 10.8 mmt85 -98.72 142.68 29.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' CG ' HG21 ' A' ' 43' ' ' THR . 5.6 mttt 38.14 85.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 68' ' ' THR . 4.8 t -176.56 103.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.5 -30.59 71.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -117.2 81.06 12.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.439 ' CA ' HD13 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 143.25 28.84 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.42 1.747 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.69 94.78 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.2 m-85 -81.67 -41.4 21.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' PHE . 3.4 t0 39.48 44.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -83.26 177.3 8.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.8 m -154.72 121.88 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 45.6 m-85 -117.59 125.56 51.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.1 m -101.74 156.67 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' THR . 11.3 m-85 -154.5 133.29 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.32 147.17 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.1 -16.63 8.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 84' ' ' TYR . 2.0 mp -77.71 116.39 57.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.536 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.96 21.66 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.536 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 16.3 t80 66.73 -59.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' PRO . 82.0 p -54.86 -18.81 5.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -87.51 -11.56 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 82' ' ' ILE . 6.6 mm -58.05 -41.05 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -67.91 -7.31 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.07 13.04 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -110.14 -170.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 178.35 123.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 15' ' ' LEU . 13.0 mt -90.0 133.56 34.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LYS . 37.6 t-80 -114.12 109.06 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.587 ' CD2' HD23 ' A' ' 11' ' ' LEU . 31.9 m-85 -99.11 110.62 23.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 56.4 m -107.29 101.08 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 131' ' ' ILE . 4.4 mp -79.18 83.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.654 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 2.2 pt? -111.56 171.88 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.53 156.66 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -76.25 122.85 24.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.71 143.06 33.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.87 2.8 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -140.43 -58.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -179.15 -44.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -54.36 93.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.7 OUTLIER -68.61 113.14 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.51 87.64 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.5 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.5 mt -83.28 110.78 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.2 mt -60.0 -47.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.6 173.98 45.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.03 156.98 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.5 t -142.64 154.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.19 145.93 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.621 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -144.78 98.77 4.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.8 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.3 -0.81 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -69.6 99.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.72 -27.44 8.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.404 HG22 ' CE ' ' A' ' 125' ' ' MET . 2.8 mm -55.57 147.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -120.76 97.21 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.0 -14.34 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLU . 55.3 p -39.34 -64.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 1.5 mt-10 -37.73 -42.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.08 -138.43 6.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -93.11 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.404 ' CE ' HG22 ' A' ' 118' ' ' ILE . 15.3 ptp -130.08 136.6 49.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.475 ' CD2' ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -84.95 140.33 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.479 ' CE ' HG12 ' A' ' 113' ' ' ILE . 1.4 mtm -141.72 156.47 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -133.35 157.5 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.51 ' NE ' ' CD1' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -139.71 146.32 39.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.45 141.49 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.491 HG23 ' CB ' ' A' ' 8' ' ' LEU . 2.6 mp -101.58 116.95 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.76 -172.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.8 t -86.85 72.16 10.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.059 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.99 152.59 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.442 1.759 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.6 p -147.93 92.24 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 11.0 p -136.82 159.35 42.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.96 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t 62.79 128.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.43 130.03 2.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.92 168.3 12.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -103.61 113.45 26.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -173.33 152.01 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.55 121.21 6.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' CB ' HG22 ' A' ' 131' ' ' ILE . 2.2 mm? -47.36 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.47 -164.37 27.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.5 m -118.84 170.01 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 0.775 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -141.13 125.65 17.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.448 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 15.3 m-85 -107.76 139.53 42.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -165.18 170.59 14.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.442 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 4.3 p -147.55 121.1 9.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.78 152.24 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' VAL . 11.8 tt0 -162.3 137.41 7.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 22' ' ' LYS . 5.6 t30 -79.97 86.29 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.81 -42.74 99.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.24 -47.42 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.2 mtp85 -115.9 24.93 11.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER 36.42 67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -131.66 172.31 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 7.1 t80 -110.48 150.34 29.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.7 t -143.45 126.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 77.9 t -121.45 90.22 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 18.1 t-20 -76.13 120.21 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mt -102.05 102.58 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -138.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.1 pt-20 -114.63 170.28 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.48 129.86 54.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.6 132.49 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 98.62 44.04 2.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mp -99.0 121.5 55.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.27 16.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 147.78 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.4 mmm -101.14 -26.67 13.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -179.55 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.78 -45.07 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -39.97 -43.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -136.55 138.64 41.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.96 66.81 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' HG1' ' N ' ' A' ' 44' ' ' SER . 13.5 t -173.37 153.96 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.529 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 p -149.61 176.05 11.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.0 p-10 -119.62 71.51 14.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 163.46 35.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.702 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 43.8 p90 -157.77 139.22 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.78 138.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -106.32 124.69 49.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 51' ' ' THR . 3.7 tmm? -95.81 145.78 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.459 ' N ' ' SD ' ' A' ' 50' ' ' MET . 87.2 m -155.81 138.99 15.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 4.9 mt -94.27 89.23 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.496 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.7 mm? -83.8 156.5 64.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.92 -25.21 10.44 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.023 -0.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.577 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -23.05 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HA ' HG23 ' A' ' 51' ' ' THR . 0.6 OUTLIER 81.47 15.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -80.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -52.73 99.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -112.92 116.25 29.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.1 m -132.66 155.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 144.95 36.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -90.38 177.6 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.606 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 96.3 mtt180 -64.37 141.76 58.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 2.5 m -88.14 -20.22 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 2.3 mt 59.16 151.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.9 mmt180 -102.46 134.58 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 66' ' ' ARG . 3.6 mttt 42.94 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.427 HG23 ' CB ' ' A' ' 65' ' ' LEU . 6.8 t -173.27 114.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.07 -20.74 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.5 78.94 73.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.03 143.44 28.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -126.52 96.35 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 63' ' ' ARG . 1.8 m-85 -82.06 -44.23 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.9 t0 40.69 46.37 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 5.9 mm-40 -89.33 -176.48 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -158.15 126.61 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 61.7 m-85 -115.25 124.3 51.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -98.86 146.23 26.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 20.3 m-85 -144.13 137.55 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.569 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 88.6 m-85 -119.48 139.58 51.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.35 -19.43 5.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG2' HD12 ' A' ' 87' ' ' ILE . 2.7 mp -70.92 122.14 86.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.97 14.94 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.549 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 19.3 t80 67.04 -57.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.1 p -53.87 -18.54 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.436 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -83.49 -17.15 42.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 82' ' ' ILE . 16.9 mm -53.46 -51.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -53.89 -19.13 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -97.63 -21.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' HG ' ' CG2' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -70.36 -171.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 177.04 120.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -81.51 127.78 33.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -111.44 105.29 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' VAL . 35.2 m-85 -98.27 111.84 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -101.31 106.7 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 131' ' ' ILE . 3.3 mp -80.82 81.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.702 ' CD2' ' CE1' ' A' ' 47' ' ' TYR . 1.7 pt? -115.96 170.02 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 p -115.0 148.74 38.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 100' ' ' ASP . 42.5 t80 -96.7 162.96 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 99' ' ' PHE . 7.0 m-20 158.35 63.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.59 -77.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ASP . 37.5 m-85 -141.69 -60.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 38.94 31.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' PHE . 23.5 mtt180 53.11 46.4 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 44.36 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -82.92 76.02 9.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.519 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.1 mt -81.41 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.1 mt -98.2 -39.19 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.51 168.51 40.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -120.07 154.46 34.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -138.88 148.07 24.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.7 148.17 40.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.582 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.3 tp -148.4 96.64 3.88 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 120.93 6.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 92' ' ' LEU . 21.4 mt -71.92 -4.8 30.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -58.47 105.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.05 -33.4 6.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.46 HG22 ' CE ' ' A' ' 125' ' ' MET . 1.7 mm -61.95 137.45 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 7.6 pt-20 -116.46 113.23 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.469 ' CD2' ' HE3' ' A' ' 125' ' ' MET . 66.7 mt -93.11 -14.8 26.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.61 -53.87 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -50.4 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 160.07 -142.19 8.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -91.9 119.46 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.469 ' HE3' ' CD2' ' A' ' 120' ' ' LEU . 15.0 ptp -111.63 139.47 47.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -91.89 140.02 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.434 ' CE ' HG12 ' A' ' 113' ' ' ILE . 8.3 mtm -144.77 151.4 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -131.19 144.63 51.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.413 ' CG ' HD11 ' A' ' 113' ' ' ILE . 4.6 mmt180 -130.5 146.98 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -92.99 138.57 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 96' ' ' ILE . 3.3 mt -95.48 118.09 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -130.23 -172.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.0 t -87.45 71.91 9.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.17 156.1 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 82.85 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.787 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.9 p -139.9 119.48 13.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.2 m 64.22 118.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.67 137.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.08 135.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.59 -156.86 9.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 m -124.37 88.46 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.45 125.42 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.1 mm? -52.38 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.42 -166.02 31.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -113.9 164.11 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -137.06 125.19 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.512 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 7.4 m-85 -105.87 139.16 40.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -166.45 162.84 17.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.3 p -136.53 151.21 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.506 ' CD2' HD11 ' A' ' 92' ' ' LEU . 6.0 mt -112.82 152.89 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.99 125.15 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 11.7 t80 -99.16 144.34 28.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 22' ' ' LYS . 63.9 t-20 -96.81 60.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 16.1 m-85 -35.8 -48.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -43.62 -53.46 5.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.4 mtp85 -110.31 24.27 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASN . 5.3 mttt 36.23 67.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -131.96 165.79 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 6.9 t80 -115.18 132.1 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 4.0 t -119.28 106.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 89.3 t -101.52 93.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.7 t-20 -81.67 130.13 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' LYS . 49.9 mt -109.92 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.61 -139.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.8 pt-20 -113.57 169.69 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.88 141.14 52.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -130.82 141.61 50.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 91.29 45.45 4.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.445 HD12 ' CD ' ' A' ' 71' ' ' PRO . 1.7 mt -97.87 122.18 55.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.88 15.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.03 152.09 24.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.404 ' HG3' ' CB ' ' A' ' 98' ' ' SER . 9.7 mmt -113.3 -16.16 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -123.05 164.49 18.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLN . 3.1 pt-20 -102.78 -5.39 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -36.88 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -132.14 49.92 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.001 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.1 tpt 39.92 50.51 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 9.9 t -150.85 171.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.449 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.3 p -164.98 175.36 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 56.2 m-20 -122.33 73.01 38.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.449 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 162.81 36.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.597 ' CZ ' ' CB ' ' A' ' 97' ' ' LEU . 33.4 p90 -159.01 142.79 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 95' ' ' THR . 23.7 mt -93.11 157.68 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 47' ' ' TYR . 2.7 mtpm? -128.93 127.36 41.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.473 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 4.3 tmm? -99.81 149.72 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.414 ' N ' ' SD ' ' A' ' 50' ' ' MET . 99.9 m -155.21 134.78 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.481 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.2 mt -91.62 94.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.492 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.4 mm? -87.12 156.95 54.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -25.35 10.34 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.979 0.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.591 ' C ' ' O ' ' A' ' 54' ' ' PRO . 25.1 mt-10 -21.97 -66.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 71.77 6.41 5.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -74.16 -63.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 11.7 m-70 -68.36 97.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.654 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -109.32 122.42 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 16.0 m -135.17 148.81 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.07 152.94 48.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.505 ' HB ' ' CG ' ' A' ' 73' ' ' PHE . 38.2 p -90.65 138.59 31.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.2 126.15 17.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.546 HG21 ' CD2' ' A' ' 99' ' ' PHE . 0.9 OUTLIER -72.32 134.58 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 3.9 mm? -81.23 165.59 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -109.67 126.84 54.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 15.7 mttt 45.54 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -176.15 135.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -93.0 -5.45 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.74 88.35 16.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.2 Cg_endo -75.03 141.13 26.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.97 88.92 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 8.4 m-85 -79.3 -42.4 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.5 t70 38.39 43.53 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 6.2 mm-40 -89.89 177.71 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.46 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 10.8 m -154.75 132.24 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 95.5 m-85 -122.46 119.85 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -97.32 138.39 34.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD2' HD11 ' A' ' 52' ' ' ILE . 23.3 m-85 -133.92 116.11 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -91.29 168.39 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.09 -46.61 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 ' CG2' HD22 ' A' ' 90' ' ' LEU . 6.5 mt -52.0 113.98 4.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.94 138.35 23.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.479 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 30.2 t80 -45.13 -48.08 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.5 p -54.8 -25.45 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.405 ' HB2' ' HG2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -79.79 -14.47 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.479 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 6.9 mm -63.88 -56.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -54.06 -18.63 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.61 -26.29 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD22 ' CG2' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -65.63 -169.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 178.17 135.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.506 HD11 ' CD2' ' A' ' 15' ' ' LEU . 15.9 mt -99.21 140.26 33.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -123.64 105.52 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 111' ' ' VAL . 26.0 m-85 -94.59 118.84 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.499 ' CG2' HD22 ' A' ' 97' ' ' LEU . 21.7 m -115.79 117.42 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.552 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 1.8 mp -86.22 100.16 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.597 ' CB ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -92.41 -171.11 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.404 ' CB ' ' HG3' ' A' ' 37' ' ' MET . 0.2 OUTLIER -150.1 95.97 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.546 ' CD2' HG21 ' A' ' 64' ' ' VAL . 84.2 t80 -88.42 160.69 17.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.28 178.62 10.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -73.88 -17.15 61.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -88.0 17.56 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.67 92.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.52 168.61 19.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.94 106.79 3.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.99 109.52 9.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.492 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 56.3 mt -64.74 96.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 96' ' ' ILE . 97.1 mt -55.93 -37.6 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.63 177.91 40.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -131.96 145.92 51.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -144.54 143.47 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -140.82 147.39 38.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.612 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.6 OUTLIER -145.47 99.63 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.71 5.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 48.9 mt -66.3 -9.1 29.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.9 t -60.27 104.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.82 -41.05 2.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 119' ' ' GLU . 2.2 mm -58.59 149.59 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.511 ' O ' ' CE ' ' A' ' 125' ' ' MET . 10.0 mm-40 -125.64 128.24 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.37 5.39 18.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.568 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -56.14 -48.46 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.22 -56.4 18.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.92 -142.81 7.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -85.33 133.9 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.511 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 17.2 ptp -124.68 142.67 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 127' ' ' MET . 0.0 OUTLIER -92.5 137.44 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.7 mtm -142.53 149.98 39.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -134.75 143.77 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.445 ' CZ ' HD11 ' A' ' 113' ' ' ILE . 23.2 mmt-85 -132.12 146.72 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -89.53 140.63 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.42 HG12 ' CD1' ' A' ' 96' ' ' ILE . 3.3 mt -96.59 123.07 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.78 -172.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.5 t -86.16 64.66 8.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 138.42 -141.66 12.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -63.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.2 p -141.54 -61.66 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m 60.23 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.84 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.031 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 44.32 78.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.84 -158.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.69 -60.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.6 m -113.85 142.02 46.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.99 136.34 0.64 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' CB ' HG23 ' A' ' 131' ' ' ILE . 2.8 mm? -65.05 -89.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -164.14 -173.27 32.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -115.9 160.59 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 94' ' ' PHE . 5.8 tp -122.95 136.43 54.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.401 ' N ' HD11 ' A' ' 11' ' ' LEU . 16.2 m-85 -120.02 137.38 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -169.17 168.51 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -132.98 161.32 34.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 115' ' ' LEU . 8.3 mt -126.63 136.04 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -154.83 126.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 68.3 t80 -101.14 127.01 47.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 22' ' ' LYS . 45.7 t-20 -71.18 94.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.6 m-85 -68.69 -36.03 77.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -49.24 76.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.4 mtp180 -109.87 21.64 16.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 37.01 69.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.602 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -136.1 178.41 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.0 t80 -121.66 135.36 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.5 t -123.55 111.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 48.9 t -107.51 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.08 128.1 33.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' LYS . 27.3 mt -109.62 101.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.75 -135.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -113.05 177.53 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.35 127.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -118.28 130.18 55.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 107.1 48.16 0.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 1.6 mt -107.77 113.72 61.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.95 12.85 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' CA ' HD11 ' A' ' 69' ' ' LEU . . . -47.42 158.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.42 ' CE ' HG12 ' A' ' 108' ' ' ILE . 12.7 mmt -113.9 -38.15 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.04 -177.7 6.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -121.87 -59.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -40.6 -42.75 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.5 OUTLIER -124.29 112.49 17.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.9 75.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.468 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 7.5 t -176.31 177.94 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.559 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 7.9 p -164.73 177.85 7.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.12 68.42 17.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.1 Cg_endo -75.03 153.7 41.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 24.7 p90 -157.54 139.18 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 95' ' ' THR . 61.7 mt -90.33 143.58 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -110.68 128.09 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' VAL . 4.6 ttp -96.09 146.38 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.486 ' CG2' ' HA ' ' A' ' 56' ' ' LYS . 91.2 m -156.1 124.1 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.1 mt -82.19 90.05 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.71 156.86 67.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.558 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.0 Cg_endo -75.03 -23.75 12.26 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.995 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.4 mt-10 -25.81 -61.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 0.4 OUTLIER 67.87 8.99 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -79.17 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.442 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 17.2 m-70 -61.79 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' LYS . 3.6 mttt -94.71 126.13 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 50' ' ' MET . 15.8 m -146.17 140.92 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -124.1 154.34 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 p -87.14 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -42.98 110.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.3 p -68.76 100.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' CB ' HG23 ' A' ' 68' ' ' THR . 1.5 mt -62.54 156.71 22.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -105.4 137.2 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.6 mtpt 45.78 86.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 13.8 t -177.79 105.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 43' ' ' THR . 2.5 mm? -66.53 -26.46 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.98 77.66 31.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.418 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.01 137.72 22.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.804 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.68 93.81 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.4 m-85 -81.56 -43.02 19.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 42.57 45.43 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -88.63 174.51 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.415 ' CG2' HG11 ' A' ' 25' ' ' VAL . 4.3 m -158.68 130.58 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -119.93 129.77 54.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 m -105.39 141.06 37.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -138.33 128.41 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -99.24 155.77 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.06 -62.34 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.3 mt -41.98 113.72 1.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.35 21.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 37.8 t80 -51.84 -19.0 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 p -80.59 -19.66 45.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 3.0 tt0 -90.42 -14.44 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.3 mm -52.83 -41.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.03 -7.07 19.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -113.12 16.17 19.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 71.9 mt -112.78 -176.93 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 179.22 124.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -88.09 130.69 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.4 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 26.9 t-80 -111.49 104.47 12.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.547 ' CD2' HD22 ' A' ' 11' ' ' LEU . 31.9 m-85 -96.48 108.83 21.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 48' ' ' ILE . 65.3 m -101.75 121.84 42.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.3 mp -85.87 89.18 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mp -95.33 -166.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t -156.63 138.8 14.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -115.61 136.61 52.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 101' ' ' ARG . 5.8 m-20 -160.79 78.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER 57.06 160.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 104' ' ' ARG . 34.7 m-85 37.48 45.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 m 64.36 -79.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 58.65 100.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.58 104.34 16.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.42 86.13 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.5 mt -66.26 107.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.42 HG12 ' CE ' ' A' ' 37' ' ' MET . 7.7 mt -74.96 -37.49 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.16 -179.67 41.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.63 138.4 47.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.8 t -131.96 150.74 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -148.64 143.5 26.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.592 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.7 tp -140.39 98.13 7.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.468 HD22 ' CD2' ' A' ' 92' ' ' LEU . 27.5 mt -87.5 15.15 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.55 54.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.5 -27.2 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 119' ' ' GLU . 6.7 mm -54.51 164.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.511 ' N ' ' CG2' ' A' ' 118' ' ' ILE . 10.2 mt-10 -147.56 102.71 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 122' ' ' GLU . 0.3 OUTLIER -104.38 41.93 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.57 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 99.8 p -64.94 69.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 120' ' ' LEU . 6.9 mt-10 65.53 9.14 5.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -117.49 115.96 3.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -83.27 120.37 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 18.5 ptp -112.84 143.04 44.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.03 140.29 29.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.475 ' CE ' HG12 ' A' ' 113' ' ' ILE . 4.1 mtm -141.83 155.87 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.73 166.24 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 -148.45 146.75 28.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -94.48 138.93 31.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.483 HG23 ' CB ' ' A' ' 8' ' ' LEU . 4.2 mt -100.6 118.75 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -128.0 -172.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.2 t -87.5 75.67 9.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 61.08 157.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.8 29.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.98 88.6 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.29 124.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.568 1.167 . . . . 0.0 111.026 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m 60.22 93.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.784 . . . . 0.0 110.02 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.26 165.73 18.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.22 137.56 6.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 p -136.19 170.96 15.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.81 -61.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.63 132.16 1.86 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' CB ' HG23 ' A' ' 131' ' ' ILE . 46.4 mt -95.2 -98.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -159.98 -168.11 21.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.438 HG21 ' CE1' ' A' ' 12' ' ' PHE . 18.3 m -124.18 162.95 22.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 94' ' ' PHE . 4.7 tp -124.65 139.36 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CE1' HG21 ' A' ' 10' ' ' THR . 9.7 m-85 -123.17 141.89 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -171.2 156.7 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.87 130.08 44.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' CD2' HD12 ' A' ' 92' ' ' LEU . 4.0 mt -90.94 144.79 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -152.97 139.38 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 50.7 t80 -117.96 126.72 52.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' LYS . 13.1 t-20 -73.87 58.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 28.1 m-85 -35.81 -47.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -47.81 -48.16 30.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASN . 13.1 mtp180 -110.86 21.46 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER 36.25 71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.642 ' CB ' ' CD1' ' A' ' 80' ' ' TYR . . . -137.07 155.38 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 2.9 t80 -99.35 128.07 45.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.491 ' CG1' HG22 ' A' ' 76' ' ' THR . 15.1 t -124.46 112.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 59.9 t -109.02 94.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -79.31 131.35 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' LYS . 66.1 mt -107.43 101.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.79 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.5 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.2 pt-20 -114.1 172.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.54 137.48 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.92 133.8 46.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' HA3' ' CA ' ' A' ' 9' ' ' GLY . . . 105.21 41.75 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD12 ' CG ' ' A' ' 46' ' ' PRO . 2.3 mt -101.06 114.53 65.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 127.41 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.38 144.57 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.5 mmt -102.5 -47.54 4.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.21 163.48 13.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.81 64.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -113.46 -67.26 1.01 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.1 p -121.39 15.22 11.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.93 53.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.476 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.3 t -163.57 179.55 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.471 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 15.1 m -163.99 175.34 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -120.73 73.49 23.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.97 166.53 29.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.665 ' CZ ' ' CD2' ' A' ' 97' ' ' LEU . 15.1 p90 -162.82 139.62 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.7 mt -91.78 135.48 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 93' ' ' HIS . 14.1 mttt -106.44 124.95 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.431 ' SD ' ' N ' ' A' ' 51' ' ' THR . 4.1 tmm? -96.24 150.08 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.503 ' CG2' ' HA ' ' A' ' 56' ' ' LYS . 86.5 m -156.28 129.23 7.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.563 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.4 mt -86.44 90.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.501 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.77 157.11 67.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.56 13.8 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.536 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -28.0 -67.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 0.7 OUTLIER 75.14 3.91 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 10.4 mmtt -70.25 -85.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 2.7 m-70 -50.99 93.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' LYS . 3.8 mtpt -105.93 126.19 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 m -131.7 147.84 32.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 155.17 46.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -88.37 160.51 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -58.07 127.2 30.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 t -76.99 92.1 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 1.6 mt -62.58 163.13 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -116.14 133.13 56.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' HB ' ' A' ' 68' ' ' THR . 0.3 OUTLIER 48.27 84.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 68' ' ' THR . 5.8 t -176.64 104.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 43' ' ' THR . 2.2 mm? -67.09 -29.78 69.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -117.04 80.77 11.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' CB ' HD12 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.99 141.23 26.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.42 93.69 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' ASP . 2.4 m-85 -81.18 -44.58 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER 37.78 44.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.32 178.9 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.491 HG22 ' CG1' ' A' ' 25' ' ' VAL . 18.5 m -143.34 149.81 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.414 ' N ' HG21 ' A' ' 76' ' ' THR . 58.9 m-85 -140.85 139.58 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.574 HG23 ' CE2' ' A' ' 80' ' ' TYR . 8.8 m -124.6 127.78 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 52' ' ' ILE . 73.0 m-85 -112.05 -12.45 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.642 ' CD1' ' CB ' ' A' ' 23' ' ' ALA . 22.6 m-85 44.43 -171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 82' ' ' ILE . . . 71.67 -55.85 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 79' ' ' PHE . 3.5 mp -33.08 113.39 0.39 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.564 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.03 18.81 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 32.1 t80 68.31 -57.04 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.5 p -55.82 -17.35 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.06 -4.01 56.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.484 ' CD1' HG21 ' A' ' 82' ' ' ILE . 5.3 mm -63.38 -52.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' CA ' ' HA ' ' A' ' 116' ' ' SER . 3.8 mt-30 -48.7 -37.76 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -73.48 -30.95 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.402 ' HG ' ' CG2' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -64.43 -170.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 175.29 120.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.478 HD12 ' CD2' ' A' ' 15' ' ' LEU . 10.8 mt -84.42 145.85 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' LYS . 34.5 t-80 -128.08 104.44 7.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.481 ' CD2' HD21 ' A' ' 11' ' ' LEU . 24.0 m-85 -94.78 119.53 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.7 m -115.71 100.16 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.414 ' CD1' HG12 ' A' ' 131' ' ' ILE . 4.5 mp -78.38 83.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.665 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 1.7 pt? -115.44 170.58 8.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.1 t -116.22 135.86 53.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 100' ' ' ASP . 19.8 t80 -76.37 144.96 39.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.591 ' O ' ' CE1' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -123.68 176.38 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.48 36.81 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -133.83 -64.28 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.69 -51.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 165.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -127.07 116.74 21.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -88.6 82.81 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 23.9 mt -79.62 137.16 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.1 mt -91.1 -40.62 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.82 169.62 42.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -121.98 144.96 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' PHE . 6.6 t -134.37 153.29 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 tp -149.39 139.21 21.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.616 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.5 OUTLIER -136.98 99.57 10.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.483 ' CD1' HG23 ' A' ' 87' ' ' ILE . 15.7 mt -74.25 -1.8 22.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.427 ' HA ' ' CA ' ' A' ' 88' ' ' GLN . 47.5 t -62.17 95.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.89 -32.09 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -52.77 131.76 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 8.1 pt-20 -119.49 114.03 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' GLY . 1.6 mt -100.64 2.07 41.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 p -40.34 -34.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.22 -47.43 57.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 156.17 -137.73 5.65 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -88.74 125.79 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 14.9 ptp -118.3 138.55 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.439 HD11 ' N ' ' A' ' 127' ' ' MET . 0.0 OUTLIER -84.2 139.25 32.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.2 mtm -141.75 154.82 45.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.52 161.56 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.413 ' CG ' ' CD1' ' A' ' 113' ' ' ILE . 0.0 OUTLIER -148.47 146.63 28.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.04 146.55 24.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.437 HG23 ' CB ' ' A' ' 8' ' ' LEU . 5.3 mt -104.33 123.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.0 pp -137.1 -171.35 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.4 t -92.62 78.2 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 61.13 153.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 81.36 2.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.35 163.33 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.6 t -120.08 84.16 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.955 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -166.5 129.33 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t 60.66 149.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.62 93.31 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.63 139.92 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -75.19 142.07 43.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.38 144.35 1.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 HD12 ' CA ' ' A' ' 109' ' ' GLY . 6.9 mt -100.9 -39.02 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.737 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.47 167.44 11.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.548 HG23 ' CE1' ' A' ' 12' ' ' PHE . 6.3 m -113.5 143.28 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.66 ' CD2' ' CD2' ' A' ' 94' ' ' PHE . 8.9 tp -105.85 140.69 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.548 ' CE1' HG23 ' A' ' 10' ' ' THR . 20.2 m-85 -120.52 137.99 54.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CZ ' ' HE2' ' A' ' 94' ' ' PHE . 7.0 p90 -167.5 168.67 12.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.437 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 54.7 p -143.89 118.99 10.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.44 147.86 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -159.09 121.83 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 65.9 t80 -100.94 121.19 41.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.1 t30 -68.66 86.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.74 -49.21 75.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CG ' ' ND2' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -42.56 -60.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.8 mtp85 -99.71 22.58 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.6 mttt 35.83 67.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 18' ' ' ASN . . . -128.8 171.5 12.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.671 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.3 t80 -118.5 118.91 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -110.16 129.72 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.671 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 94.5 t -119.91 91.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 7.1 t-20 -77.91 122.35 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' LYS . 6.8 mt -104.22 101.78 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.67 -139.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -113.67 177.37 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.07 133.55 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 137.19 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 84.59 70.61 1.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 HD11 ' CD ' ' A' ' 71' ' ' PRO . 10.1 mt -113.07 126.68 27.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.09 9.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.66 141.47 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mmt -81.49 -31.95 32.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.46 164.94 15.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.82 -56.62 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -39.95 -55.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 m -78.92 -42.28 27.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.5 tpt 67.21 46.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.497 ' CG2' ' HB3' ' A' ' 67' ' ' LYS . 12.8 t -169.08 169.78 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.545 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.9 p -165.68 177.31 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -116.72 73.64 6.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 136.85 20.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 97' ' ' LEU . 43.1 p90 -135.8 140.33 44.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.8 mt -91.85 131.23 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -103.47 119.66 39.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.481 ' SD ' ' N ' ' A' ' 51' ' ' THR . 4.4 tmm? -96.71 149.07 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.481 ' N ' ' SD ' ' A' ' 50' ' ' MET . 82.6 m -156.28 128.77 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.564 HD12 ' CD2' ' A' ' 79' ' ' PHE . 2.6 mt -80.72 91.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.506 ' CD1' ' HB2' ' A' ' 93' ' ' HIS . 28.6 mt -87.34 158.43 52.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -19.83 17.17 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.987 -0.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -27.45 -66.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 28.0 tttt 77.78 0.89 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -68.22 -85.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -51.05 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.601 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 9.6 mtpm? -104.33 118.12 35.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.2 m -130.55 148.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -128.51 149.97 50.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.2 p -89.09 133.12 34.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.18 124.97 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.75 129.71 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 71' ' ' PRO . 3.9 mm? -71.79 174.21 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -115.42 100.83 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 43' ' ' THR . 24.9 mttt 57.43 98.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 65' ' ' LEU . 1.4 t 175.84 114.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.74 -1.66 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -140.36 71.74 32.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CD ' HD11 ' A' ' 34' ' ' LEU . 18.2 Cg_endo -74.96 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -161.23 98.42 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.84 -45.54 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.33 43.28 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.5 mt-10 -85.73 176.49 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.9 m -153.25 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -115.46 138.19 51.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 2.1 m -111.6 153.81 25.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.564 ' CD2' HD12 ' A' ' 52' ' ' ILE . 45.4 m-85 -151.89 102.58 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -80.09 153.6 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.53 -60.09 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.427 HG22 ' CD1' ' A' ' 90' ' ' LEU . 4.1 mt -43.1 112.04 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.85 21.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 27.8 t80 -51.61 -19.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.4 p -79.21 -19.07 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -91.14 -15.57 29.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.467 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.8 mm -52.17 -41.65 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -66.06 -9.55 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -110.19 10.66 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.427 ' CD1' HG22 ' A' ' 82' ' ' ILE . 61.9 mt -108.92 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 178.09 126.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 15' ' ' LEU . 10.4 mt -87.17 121.79 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.506 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 10.1 t-80 -98.22 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.075 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.66 ' CD2' ' CD2' ' A' ' 11' ' ' LEU . 12.1 m-85 -91.04 132.12 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.454 HG23 ' CG ' ' A' ' 110' ' ' GLU . 9.4 m -135.18 116.09 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 1.3 mp -92.82 95.97 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 2.7 mp -99.31 -164.66 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.53 110.64 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -89.94 144.82 25.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 101' ' ' ARG . 6.0 m-20 -133.36 62.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.522 ' C ' ' O ' ' A' ' 100' ' ' ASP . 0.8 OUTLIER 28.34 72.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.454 ' CG ' ' O ' ' A' ' 101' ' ' ARG . 2.6 m-85 -175.98 -84.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m 179.8 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -47.24 98.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.68 97.44 10.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.06 100.19 12.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.37 109.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 88.6 mt -74.73 -45.39 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.437 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -159.93 -167.36 20.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.477 ' OE2' ' CE1' ' A' ' 93' ' ' HIS . 3.7 mt-10 -157.15 154.55 29.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.54 ' CG1' ' CB ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -155.51 153.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 113' ' ' ILE . 10.6 tp -141.17 153.24 45.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.551 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 3.9 tp -145.81 95.32 4.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.89 11.24 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.62 57.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.56 -23.98 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.564 1.165 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.04 137.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 6.6 pt-20 -122.18 115.37 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.446 ' CD2' ' HE2' ' A' ' 125' ' ' MET . 0.5 OUTLIER -108.52 8.57 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -25.49 48.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.28 -67.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . -179.08 156.78 19.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' GLY . 1.4 ttpt -39.75 125.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.446 ' HE2' ' CD2' ' A' ' 120' ' ' LEU . 10.3 ptp -119.49 135.25 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -75.56 143.98 42.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.458 ' CE ' HG12 ' A' ' 113' ' ' ILE . 0.5 OUTLIER -143.05 149.38 38.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.27 133.94 37.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.428 ' CG ' HD11 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -124.06 155.29 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 3.8 pt-20 -98.2 126.55 43.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 96' ' ' ILE . 3.5 mt -77.6 125.76 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -141.77 -172.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.3 t -88.89 73.61 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.504 ' O ' ' CD1' ' A' ' 132' ' ' ILE . . . 73.02 158.18 4.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -175.2 2.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.56 111.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.06 -58.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.28 96.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -178.11 148.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.47 126.75 1.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -134.91 170.8 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.032 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 53.74 175.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.87 129.67 9.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CB ' HG23 ' A' ' 131' ' ' ILE . 2.5 mm? -63.53 -86.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.59 -169.34 26.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.4 m -118.3 169.91 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 0.765 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD23 ' CD2' ' A' ' 94' ' ' PHE . 5.9 tp -132.13 144.65 50.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -127.82 135.74 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 127' ' ' MET . 4.7 p90 -161.54 169.34 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.405 ' HB3' ' HG ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -146.72 117.77 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD2' ' CD1' ' A' ' 92' ' ' LEU . 3.0 mt -81.73 147.28 29.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -155.93 113.29 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -92.02 132.67 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' LYS . 27.0 t30 -81.13 98.19 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.07 -33.03 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.19 -46.12 91.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.9 mtp85 -113.75 22.59 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.8 mptt 36.02 69.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 18' ' ' ASN . . . -131.9 178.28 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 3.9 t80 -128.82 119.23 24.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 76' ' ' THR . 4.4 t -108.06 112.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 24' ' ' PHE . 66.1 t -104.26 90.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -77.56 138.51 39.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' LYS . 22.1 mt -117.13 99.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.4 ttpt -61.67 -138.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.468 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.0 pt-20 -113.02 168.9 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.06 144.27 49.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.36 130.98 41.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 108.16 48.53 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 HD12 ' CD ' ' A' ' 71' ' ' PRO . 3.1 mt -108.17 113.13 60.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 131.8 14.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.9 161.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 mmt -114.72 -33.06 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.81 171.71 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -116.92 2.83 12.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.87 -46.1 12.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.8 145.02 34.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.9 65.91 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.426 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 10.8 t -159.02 164.52 35.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.485 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.7 m -164.77 175.81 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.8 p30 -125.82 67.27 59.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.0 160.67 39.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CZ ' HD23 ' A' ' 97' ' ' LEU . 24.4 p90 -156.07 141.93 18.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 49' ' ' LYS . 36.2 mt -91.39 144.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 2.2 mttm -114.16 128.47 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 51' ' ' THR . 3.5 tmm? -96.48 150.5 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.457 ' CG2' HD21 ' A' ' 53' ' ' LEU . 32.5 m -157.96 129.7 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.384 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' CG2' ' HG ' ' A' ' 90' ' ' LEU . 3.1 mt -87.02 89.54 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.3 mm? -84.65 156.08 61.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -26.59 9.11 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.018 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.575 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -22.35 -70.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttt 79.55 5.97 2.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.3 mmtt -71.01 -81.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -55.65 88.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LYS . 25.4 mtpt -101.07 117.46 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' CG2' ' HE2' ' A' ' 50' ' ' MET . 15.8 m -131.31 146.79 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -127.98 166.2 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 p -107.0 136.82 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.96 135.47 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -83.33 129.14 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 4.0 mm? -67.86 172.64 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -115.93 123.93 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.426 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 17.5 mttt 46.14 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 43' ' ' THR . 1.8 t -173.07 153.29 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.78 -23.65 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.78 85.96 45.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.472 ' CD ' HD12 ' A' ' 34' ' ' LEU . 18.1 Cg_endo -75.06 142.14 27.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -123.88 90.84 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 5.7 m-85 -79.39 -42.5 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.1 t0 38.59 43.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -176.12 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.454 HG23 ' CG1' ' A' ' 25' ' ' VAL . 2.9 m -158.57 126.84 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -123.86 115.62 21.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -88.01 156.81 19.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 78' ' ' THR . 36.0 m-85 -151.42 112.48 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.467 ' CZ ' HG21 ' A' ' 78' ' ' THR . 41.5 m-85 -93.46 153.11 18.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.58 -39.53 2.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.481 ' C ' ' H ' ' A' ' 84' ' ' TYR . 2.4 mp -51.48 114.61 5.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.98 21.17 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.529 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 22.3 t80 65.97 -57.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . 58.9 p -54.92 -18.6 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.05 -8.97 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG21 ' CD1' ' A' ' 115' ' ' LEU . 7.6 mm -61.08 -52.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' CA ' ' HA ' ' A' ' 116' ' ' SER . 11.9 mt-30 -49.93 -33.1 16.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.05 -28.29 43.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.423 ' HG ' ' CG2' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -66.78 -171.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 174.47 118.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.477 ' CD1' HG11 ' A' ' 26' ' ' VAL . 9.9 mt -83.39 141.6 31.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -122.55 105.34 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 111' ' ' VAL . 27.5 m-85 -96.16 107.7 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -101.54 108.43 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' CD1' HG12 ' A' ' 131' ' ' ILE . 3.5 mp -80.02 85.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.518 HD23 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -120.71 167.22 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.6 t -115.37 146.86 41.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -92.6 159.0 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.18 151.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.55 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 mmp_? -39.25 -62.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 19.1 m-85 -150.54 58.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 m -87.08 13.95 8.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 56.71 35.87 26.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 59.74 92.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -91.95 81.41 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.504 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 16.6 mt -79.05 147.16 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mt -103.49 -45.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.93 173.82 40.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -127.55 150.05 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.5 t -138.52 146.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 tp -141.33 138.8 33.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.603 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -133.9 95.67 17.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.2 5.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 87' ' ' ILE . 14.6 mt -78.21 2.73 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.415 ' HA ' ' CA ' ' A' ' 88' ' ' GLN . 31.8 t -61.56 85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.94 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 127.38 -32.82 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -53.29 137.41 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 5.9 pt-20 -124.61 110.73 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.19 19.44 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.8 m -66.3 -42.75 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -65.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.88 -146.17 4.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.35 138.05 32.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 125' ' ' MET . 9.3 ptp -133.89 129.84 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 127' ' ' MET . 0.4 OUTLIER -88.51 158.53 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mtm -154.93 160.71 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.73 160.98 36.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.01 148.11 33.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.63 144.98 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.466 HG23 ' CB ' ' A' ' 8' ' ' LEU . 3.3 mt -105.24 114.57 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -127.5 -172.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t -87.25 73.48 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 64.99 156.65 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 96.59 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.2 t -82.88 94.57 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.1 t -172.64 116.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 64.47 83.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -57.13 100.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.43 -103.55 3.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 t -129.0 140.19 51.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -141.61 -66.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.33 147.3 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.433 ' CB ' HG21 ' A' ' 131' ' ' ILE . 91.0 mt -93.59 -81.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.797 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . -173.71 -169.29 35.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.7 m -126.64 161.22 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.487 HD22 ' CD2' ' A' ' 94' ' ' PHE . 10.2 tp -119.56 143.07 47.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -126.89 141.13 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 111.042 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.7 p90 -170.33 171.28 6.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.39 117.35 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 92' ' ' LEU . 2.5 mt -79.97 141.3 36.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -151.6 118.3 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 66.8 t80 -98.93 130.82 45.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' LYS . 23.7 t-20 -81.18 89.46 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 2.0 m-85 -60.89 -46.36 90.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 -49.97 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.4 mtp180 -109.63 23.15 14.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.3 mttt 35.01 69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -133.56 171.12 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.645 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 8.4 t80 -120.93 126.09 49.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.51 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 2.4 t -119.77 114.84 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.645 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 72.4 t -108.59 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.1 t-20 -78.92 126.78 31.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' LYS . 7.8 mt -103.4 103.01 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.82 -138.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 11.7 pt-20 -116.03 171.62 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.26 141.78 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.11 139.86 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 83.54 70.74 1.34 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -119.01 118.27 33.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.59 10.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HB2' ' CE ' ' A' ' 42' ' ' MET . . . -45.97 158.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.473 ' CE ' HG13 ' A' ' 108' ' ' ILE . 7.8 mmt -116.29 -44.33 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -106.01 154.55 20.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -100.18 34.55 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -80.56 -78.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.88 40.18 3.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 36' ' ' ALA . 5.8 tpt 43.83 63.2 1.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 67' ' ' LYS . 14.6 t -174.74 152.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.529 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -142.55 178.07 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -116.76 74.4 6.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.04 143.85 29.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.608 ' CZ ' ' CD2' ' A' ' 97' ' ' LEU . 10.5 p90 -148.04 139.77 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 mt -92.06 136.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 24.9 mttt -101.96 125.32 48.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.461 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 1.9 ttp -96.85 142.93 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.463 ' CG2' ' HG3' ' A' ' 56' ' ' LYS . 34.5 m -154.84 132.55 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 80.9 mt -90.19 104.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.506 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.2 mm? -90.55 156.11 45.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.672 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -74.96 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.672 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -8.64 -70.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.7 tttt 91.0 -5.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -57.53 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -39.69 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 14.1 mtpt -119.55 121.62 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 11.7 m -131.04 152.86 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -132.32 168.0 18.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -85.63 177.48 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' VAL . 1.9 ttt-85 -72.66 0.23 11.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 47' ' ' TYR . 46.2 t 52.44 100.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.526 ' CB ' ' HB3' ' A' ' 71' ' ' PRO . 1.3 mm? -62.18 161.11 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -114.58 105.25 12.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 68' ' ' THR . 55.4 mttt 58.84 107.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.65 113.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.6 -5.43 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -142.6 69.57 20.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.526 ' HB3' ' CB ' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 165.13 31.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -139.22 104.07 4.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -84.94 -49.46 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 43.27 42.03 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -88.75 171.33 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.51 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 4.3 m -146.39 133.48 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -125.58 121.88 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 m -97.92 152.14 19.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -144.4 134.16 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -114.84 155.6 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.48 -9.58 45.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.56 1.163 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 84' ' ' TYR . 4.8 mt -80.32 118.61 73.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.546 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 16.77 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.546 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 16.2 t80 66.87 -59.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' PRO . 73.7 p -54.32 -18.01 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.455 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.58 -18.65 34.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 84' ' ' TYR . 12.8 mm -51.03 -43.16 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -63.49 -11.04 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -108.0 9.46 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.5 mt -110.46 -173.62 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 179.84 149.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 15' ' ' LEU . 12.5 mt -113.84 141.28 47.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.477 ' CE1' ' OG1' ' A' ' 95' ' ' THR . 31.1 t-80 -118.41 106.15 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.565 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.487 ' CD2' HD22 ' A' ' 11' ' ' LEU . 24.8 m-85 -94.93 100.63 12.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.477 ' OG1' ' CE1' ' A' ' 93' ' ' HIS . 96.2 m -100.1 107.46 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.477 ' CD1' HG12 ' A' ' 131' ' ' ILE . 3.8 mp -82.14 84.12 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.608 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -117.24 171.35 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -115.06 141.65 47.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 4.9 t80 -107.88 129.14 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 101' ' ' ARG . 1.1 m-20 -143.82 56.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER 41.92 -164.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 104' ' ' ARG . 2.1 m-85 53.82 19.83 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ARG . 12.2 m 70.87 -59.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' SER . 3.0 ptm180 -38.64 143.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.93 114.41 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.45 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.1 OUTLIER -70.35 108.18 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.529 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 32.2 mt -83.46 138.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.473 HG13 ' CE ' ' A' ' 37' ' ' MET . 5.8 mt -97.81 -47.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -163.66 176.77 39.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -132.16 146.43 52.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -137.26 152.97 28.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.0 tp -145.81 143.43 29.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -139.68 97.79 8.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 131.7 14.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.54 ' CD1' ' CZ ' ' A' ' 24' ' ' PHE . 33.3 mt -87.99 18.03 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.1 t -72.55 58.4 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 149.23 -24.47 1.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.425 ' CG2' HD12 ' A' ' 120' ' ' LEU . 2.3 mm -50.87 135.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.6 100.86 6.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.425 HD12 ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -91.06 3.08 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.574 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 8.7 t -62.64 -47.08 85.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.81 -55.62 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 167.61 156.2 9.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 113.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.7 ptp -101.54 150.44 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.31 137.29 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.44 ' CE ' HG12 ' A' ' 113' ' ' ILE . 4.7 mtm -142.35 152.98 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -134.08 166.59 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -151.18 146.4 26.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -89.31 139.06 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 96' ' ' ILE . 5.6 mt -98.98 120.03 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.11 -172.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 t -93.22 76.95 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 66.94 152.62 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 56.45 4.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -57.73 127.89 34.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 m 64.88 112.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.934 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.31 87.64 5.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -63.24 162.02 12.74 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.08 -151.0 19.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.157 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -142.16 -53.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -168.37 -51.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.82 127.23 2.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.464 HD23 ' CG2' ' A' ' 108' ' ' ILE . 36.9 mt -81.39 -85.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . -165.96 -163.37 19.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.488 HG21 ' CE1' ' A' ' 12' ' ' PHE . 74.0 m -126.39 162.64 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -130.5 122.39 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 15.7 m-85 -106.85 138.86 42.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -167.13 169.21 12.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.417 ' OG ' ' NZ ' ' A' ' 124' ' ' LYS . 80.9 p -144.94 130.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -88.04 148.54 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -159.45 123.98 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 57.7 t80 -104.13 133.37 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' LYS . 47.7 t-20 -81.85 75.07 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 3.2 m-85 -48.34 -51.16 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.1 mtp180 -101.26 24.39 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.7 mttt 34.68 71.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -139.38 175.04 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.613 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 10.0 t80 -121.15 145.15 48.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.57 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 6.7 t -135.58 120.64 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.613 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 73.9 t -109.55 94.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -81.52 116.32 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' ' 29' ' ' LYS . 55.4 mt -99.17 102.44 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -61.42 -136.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.494 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.57 174.9 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.63 123.03 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.07 138.39 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 93.39 50.02 2.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 9.5 mt -99.88 118.69 61.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.15 11.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.554 1.818 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.03 150.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.6 mmt -107.86 -42.52 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.66 175.48 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -119.52 42.63 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -87.0 -77.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.68 48.84 2.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 42' ' ' MET . 0.0 OUTLIER 40.33 50.75 2.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.461 ' CG2' ' HG2' ' A' ' 67' ' ' LYS . 8.7 t -155.83 173.35 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.515 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.4 p -165.24 176.69 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -120.61 71.16 18.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 168.33 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 18.1 p90 -173.33 137.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -91.12 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -107.52 126.03 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 60' ' ' VAL . 8.3 ttp -96.19 130.82 43.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.9 m -140.27 128.36 22.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 55' ' ' GLU . 60.6 mt -85.27 81.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.1 mm? -65.84 155.54 86.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 -39.61 1.41 Allowed 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.0 0.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -56.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 57' ' ' LYS . 11.7 mtmt -60.79 -8.41 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 56' ' ' LYS . 5.1 mmtt -28.66 -77.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -60.05 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -99.3 131.3 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 50' ' ' MET . 15.5 m -150.94 143.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.2 160.91 28.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' ARG . 37.9 p -93.93 132.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -37.4 115.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.1 p -75.5 102.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' ' 71' ' ' PRO . 1.5 mt -64.36 157.9 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -105.91 144.08 33.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 3.4 mttm 42.48 82.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.1 t -176.18 119.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.6 mt -79.21 -26.95 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -121.37 78.58 35.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.549 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.2 Cg_endo -74.95 140.24 25.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.36 96.97 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.9 m-85 -82.77 -43.73 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PHE . 2.3 m-20 39.19 45.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.8 -179.88 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.57 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 3.0 m -158.66 129.98 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 68.7 m-85 -121.25 125.16 46.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -100.89 141.32 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 19.4 m-85 -139.6 121.4 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -99.88 128.01 46.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.47 -32.87 1.82 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 84' ' ' TYR . 1.7 mp -61.04 116.61 19.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.564 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 17.55 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 24.9 t80 67.75 -57.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' PRO . 81.8 p -56.04 -16.92 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -90.0 -10.31 45.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.463 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 6.0 mm -58.47 -39.29 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.82 -9.42 28.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.13 12.25 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.4 mt -110.94 -175.54 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -178.45 121.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 15' ' ' LEU . 15.9 mt -84.25 124.38 31.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 24.4 t-80 -105.49 105.42 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.418 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 26.5 m-85 -94.02 102.23 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.481 ' CB ' HD13 ' A' ' 97' ' ' LEU . 32.2 m -98.16 118.33 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.518 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.8 mp -87.56 85.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.481 HD13 ' CB ' ' A' ' 95' ' ' THR . 3.8 mp -97.68 -165.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.4 t -152.95 149.0 27.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -74.4 105.38 5.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -103.61 120.67 41.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.522 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -72.93 56.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 101' ' ' ARG . 42.8 m-85 -166.83 29.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m 73.56 -57.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -44.9 168.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -135.49 124.54 24.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.46 102.56 13.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.41 122.47 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.464 ' CG2' HD23 ' A' ' 8' ' ' LEU . 9.6 mt -88.71 -44.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.09 167.08 39.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -123.16 130.8 53.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.3 t -126.15 145.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tp -140.85 139.48 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.591 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.6 tp -137.43 97.16 10.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.65 18.88 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.24 58.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 150.16 -20.19 1.08 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.461 HG21 ' CD2' ' A' ' 120' ' ' LEU . 2.6 mm -51.74 144.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.784 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -134.68 104.73 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -96.71 11.56 35.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 10.0 t -56.39 -57.24 13.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -51.88 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.66 -145.13 8.8 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.417 ' NZ ' ' OG ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -91.95 122.03 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.404 ' HE2' ' CD1' ' A' ' 120' ' ' LEU . 18.4 ptp -107.03 144.86 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.75 138.31 31.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.9 mtm -143.59 145.7 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.53 149.27 49.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -139.28 144.11 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 147.37 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.477 HD13 ' CA ' ' A' ' 10' ' ' THR . 8.0 mt -106.81 122.56 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.447 ' CA ' HD13 ' A' ' 8' ' ' LEU . 2.1 pp -136.62 -171.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.9 t -90.23 80.7 6.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.71 156.04 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 82.54 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.81 83.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.1 t -46.32 159.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -115.19 142.82 46.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 0.811 . . . . 0.0 109.984 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.99 106.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.72 -110.63 3.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.91 161.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.6 101.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.18 142.71 9.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CB ' HG23 ' A' ' 131' ' ' ILE . 79.7 mt -100.96 -70.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 175.68 -170.93 44.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.469 ' CA ' HD13 ' A' ' 131' ' ' ILE . 55.2 m -123.6 170.59 10.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' CD1' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -136.99 121.69 18.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 18.1 m-85 -105.37 141.67 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' HD12 ' A' ' 11' ' ' LEU . 8.4 p90 -168.16 174.98 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.446 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 8.0 p -151.5 122.07 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.494 HD12 ' CD1' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -80.14 152.7 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.1 tt0 -159.74 130.98 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 29.4 t80 -101.41 130.07 47.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ALA . 11.1 t30 -79.49 60.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -41.18 -48.18 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -41.61 -59.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' LYS . 70.8 mtt180 -102.64 25.31 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 38.44 63.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -132.99 177.37 7.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 5.8 t80 -117.67 142.16 47.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.608 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 11.9 t -130.98 121.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 89.3 t -114.56 95.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.0 t-20 -82.95 124.67 30.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.7 mt -105.97 103.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -137.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.4 OUTLIER -114.63 176.21 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.98 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 140.62 44.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 84.52 72.38 1.29 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' CD ' ' A' ' 71' ' ' PRO . 9.9 mt -116.21 119.16 37.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.66 144.3 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 70.1 mmm -118.91 -34.69 3.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -98.23 168.91 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.04 64.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -116.3 -69.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.11 38.59 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.55 35.89 26.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.056 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 t -132.1 -178.77 5.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.536 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -165.26 177.14 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.527 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 1.4 m-20 -126.37 64.01 53.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 156.95 43.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.695 ' CE2' ' CD2' ' A' ' 97' ' ' LEU . 51.3 p90 -158.51 145.05 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.5 mt -91.91 146.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 0.4 OUTLIER -116.46 128.79 55.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' A' ' 51' ' ' THR . 2.9 tmm? -96.0 146.58 24.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.458 ' N ' ' SD ' ' A' ' 50' ' ' MET . 87.5 m -156.79 131.44 8.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.456 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 3.7 mt -89.87 103.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.531 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 22.5 mt -90.27 158.15 44.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -42.29 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.978 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.621 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -14.61 -65.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 7.1 tttt 81.74 5.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.33 -74.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' CD2' HD12 ' A' ' 82' ' ' ILE . 3.1 m-70 -50.05 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' LYS . 10.0 mtpt -115.87 117.61 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.7 m -134.63 163.03 37.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -149.52 165.96 30.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.516 HG21 ' CG ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -108.48 142.13 39.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.62 104.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 45' ' ' ASP . 1.4 p -58.18 101.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.479 HD13 ' CB ' ' A' ' 71' ' ' PRO . 2.6 mt -53.57 149.15 8.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' LYS . 21.2 mmt-85 -101.57 137.72 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 66' ' ' ARG . 28.8 mtmt 43.9 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.9 t -178.24 112.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.99 -18.43 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -131.58 74.83 77.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.479 ' CB ' HD13 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 139.82 24.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -120.71 98.55 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CG ' HG21 ' A' ' 62' ' ' THR . 8.4 m-85 -80.15 -47.46 14.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.75 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -90.21 170.43 10.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.608 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 3.2 m -148.44 126.15 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -114.56 119.63 37.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.543 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -90.18 155.99 18.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 78' ' ' THR . 42.0 m-85 -152.45 128.4 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -107.6 161.36 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.91 -38.07 3.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.545 HD12 ' CD2' ' A' ' 58' ' ' HIS . 3.1 mt -61.77 114.51 11.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.2 Cg_endo -75.06 136.13 19.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 23.5 t80 -49.15 -25.76 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.5 p -74.51 -21.43 59.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -86.95 -10.76 52.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 8.4 mm -60.74 -61.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -48.55 -33.58 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -81.42 -25.12 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -67.76 -170.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 175.26 122.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.494 ' CD1' HD12 ' A' ' 15' ' ' LEU . 10.5 mt -87.29 144.76 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 34.5 t-80 -126.43 104.25 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.602 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.482 ' CD2' HD13 ' A' ' 11' ' ' LEU . 29.3 m-85 -94.42 108.8 20.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.1 m -100.89 105.42 16.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 131' ' ' ILE . 3.9 mp -78.18 82.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.695 ' CD2' ' CE2' ' A' ' 47' ' ' TYR . 1.6 pt? -117.36 169.79 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.11 154.64 44.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.619 ' CE1' ' O ' ' A' ' 100' ' ' ASP . 4.0 t80 -88.52 127.47 35.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.619 ' O ' ' CE1' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -111.82 -163.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -99.53 172.48 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.519 ' O ' ' CB ' ' A' ' 103' ' ' SER . 5.4 m-30 55.57 19.6 3.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 102' ' ' PHE . 1.7 t 88.32 -38.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER -38.52 139.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.72 126.19 47.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.74 100.87 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.527 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.4 mt -79.27 138.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 mt -96.69 -45.1 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.55 167.72 40.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -121.88 150.74 41.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -137.22 153.68 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 tp -145.05 143.07 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.63 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.1 tp -141.09 97.82 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.38 6.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.84 -0.94 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -62.9 105.54 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.43 -35.97 4.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.4 mm -53.17 138.95 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 10.1 pt-20 -119.66 115.62 24.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 121' ' ' SER . 1.2 mt -101.6 -1.49 32.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 93.7 p -38.41 -62.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -42.37 -42.65 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 153.33 -135.16 4.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -89.04 140.74 29.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 15.8 ptp -130.29 146.0 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -94.63 137.53 33.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 6.3 mtm -143.06 155.54 44.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.08 163.55 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -151.14 147.58 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.8 143.89 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 96' ' ' ILE . 5.1 mt -101.64 123.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.63 -171.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.5 t -89.9 79.95 6.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.44 152.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.93 2.18 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 t -160.41 107.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.034 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.4 m -108.31 150.33 27.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.954 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -154.92 148.51 25.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -166.59 167.2 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 142.68 3.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -167.67 162.19 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.84 104.61 6.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.1 141.62 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.464 ' CB ' HG21 ' A' ' 131' ' ' ILE . 2.9 mm? -69.81 -91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.71 -158.25 8.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 m -131.24 161.43 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.575 HD21 ' CD2' ' A' ' 94' ' ' PHE . 8.4 tp -123.2 137.09 54.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -120.33 138.02 53.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 4.9 p90 -166.7 166.38 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -139.44 118.21 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' CD2' HD22 ' A' ' 92' ' ' LEU . 2.3 mt -83.9 146.48 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -155.16 121.89 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 84' ' ' TYR . 50.2 t80 -95.65 142.59 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.82 113.6 26.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' ARG . 85.7 m-85 -81.01 -166.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 68.77 -57.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' LYS . 21.3 mtp180 -105.46 17.52 23.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 37.62 66.82 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -120.19 161.67 20.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.631 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 6.1 t80 -125.06 141.15 52.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' PHE . 2.5 t -129.2 119.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.631 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 48.7 t -119.04 90.12 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -73.01 137.28 45.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' LYS . 7.1 mt -114.83 100.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -61.89 -138.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.2 pt-20 -114.21 174.39 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.91 143.17 50.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.85 131.75 31.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 106.17 42.13 1.69 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 5.0 mp -105.91 118.05 56.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.19 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 133.46 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 106' ' ' ASP . 1.6 mmt -86.93 -46.04 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -96.54 166.19 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -103.57 -167.33 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 1.9 mt-30 67.24 -59.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' GLU . 22.7 t -110.81 104.6 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.76 75.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' SER . 10.2 t -175.97 168.73 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.581 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 m -165.66 178.47 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.86 67.63 15.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.98 142.12 27.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.599 ' CZ ' ' CD2' ' A' ' 97' ' ' LEU . 36.0 p90 -136.29 140.13 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.0 mt -91.55 133.32 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 4.6 mttm -103.33 114.72 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.429 ' HE2' ' CG2' ' A' ' 60' ' ' VAL . 7.5 ttp -96.5 145.48 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 59' ' ' LYS . 95.1 m -149.54 128.19 12.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 55' ' ' GLU . 60.2 mt -81.56 81.55 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.5 mm? -67.16 154.4 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.94 -42.28 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.047 -2.481 . . . . 0.0 111.019 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' ILE . 28.0 mt-10 -53.64 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' CG ' HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -63.18 -10.92 17.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -35.2 -63.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' ND1' ' HG3' ' A' ' 57' ' ' LYS . 15.6 m-70 -68.78 62.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HG3' ' CG2' ' A' ' 51' ' ' THR . 0.5 OUTLIER -86.9 136.47 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.429 ' CG2' ' HE2' ' A' ' 50' ' ' MET . 15.7 m -147.76 149.41 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.51 157.45 44.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.407 ' CG2' HD11 ' A' ' 28' ' ' ILE . 17.7 p -87.95 165.86 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -60.39 147.73 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -88.01 100.65 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -58.34 164.89 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 67' ' ' LYS . 10.3 mmt85 -117.94 119.62 35.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' CA ' ' OG1' ' A' ' 43' ' ' THR . 7.2 mttt 41.0 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 68' ' ' THR . 2.4 t -176.16 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 43' ' ' THR . 1.3 mm? -60.55 -35.06 75.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.16 80.65 12.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HB3' ' CG2' ' A' ' 68' ' ' THR . 18.4 Cg_endo -74.98 149.81 37.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -124.8 103.17 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE1' HD21 ' A' ' 65' ' ' LEU . 3.4 m-85 -87.49 -45.24 10.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t0 41.27 46.79 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 179.24 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.8 m -156.09 145.27 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 28.4 m-85 -133.53 132.81 41.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 135.67 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -136.56 112.87 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -89.92 148.18 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.69 -51.64 0.69 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.457 HG21 ' CD1' ' A' ' 90' ' ' LEU . 3.2 mt -51.02 112.14 2.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.3 Cg_endo -74.98 142.69 28.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 27.5 t80 -49.73 -32.17 13.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.6 p -69.57 -19.4 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -88.18 -20.04 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.2 mm -51.17 -50.94 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -60.38 -12.27 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.89 9.91 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 82' ' ' ILE . 71.8 mt -105.76 -179.56 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -178.75 119.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.471 ' CD2' HD23 ' A' ' 115' ' ' LEU . 0.6 OUTLIER -85.16 118.32 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 23.1 t-80 -99.97 105.05 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CD2' HD21 ' A' ' 11' ' ' LEU . 32.4 m-85 -97.6 136.32 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.4 m -127.86 113.57 16.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.6 mp -85.98 82.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.599 ' CD2' ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -118.72 171.76 7.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.0 t -114.87 146.82 40.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -89.8 115.89 27.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -109.75 149.98 29.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -58.24 174.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 101' ' ' ARG . 9.7 m-85 67.88 -58.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' ARG . 6.6 p 167.81 -49.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 100' ' ' ASP . 5.7 mtm180 -37.6 143.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 105' ' ' ASP . 0.9 OUTLIER -141.41 110.48 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -75.06 110.29 9.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 21.9 mt -83.72 147.56 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.402 HG13 ' CE ' ' A' ' 37' ' ' MET . 3.2 mt -105.04 -44.51 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.86 164.47 37.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.38 166.18 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 94' ' ' PHE . 3.5 t -151.04 152.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 tp -147.81 139.18 23.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.612 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.5 tp -136.99 95.26 12.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.448 1.762 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 92' ' ' LEU . 20.9 mt -79.01 2.47 20.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.8 t -67.68 98.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.16 6.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.23 139.87 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 9.1 pt-20 -120.37 114.95 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.17 16.96 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p -69.26 -54.5 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -52.99 19.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.93 157.52 10.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.84 143.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 13.0 ptp -134.64 145.84 48.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 14' ' ' SER . 0.5 OUTLIER -89.3 141.55 28.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 5.0 mtm -142.84 152.55 42.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.38 158.17 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.45 148.74 39.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -93.82 141.07 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 96' ' ' ILE . 4.8 mt -99.31 116.7 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.72 -173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.5 t -84.78 78.34 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 57.3 161.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.14 31.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.52 160.37 5.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.08 162.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -135.1 -55.87 0.81 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 0.744 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m 58.54 157.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.2 136.56 9.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -171.23 121.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -85.43 65.53 9.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.47 140.57 2.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.0 mm? -68.72 -93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.82 -163.3 17.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.7 m -118.89 172.92 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -141.17 123.93 16.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.503 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 16.6 m-85 -108.64 140.47 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.8 p90 -163.47 165.22 24.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 p -138.98 129.27 25.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' CD2' HD13 ' A' ' 92' ' ' LEU . 3.8 mt -92.08 146.42 23.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -156.94 126.17 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.0 t80 -103.41 126.56 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 22' ' ' LYS . 41.7 t-20 -68.94 100.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -35.18 65.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.12 95.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mtp180 -116.41 20.41 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 35.9 71.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -137.85 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 12.1 t80 -116.99 136.96 52.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' CG1' ' CG2' ' A' ' 76' ' ' THR . 2.9 t -129.42 120.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.624 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 98.3 t -112.24 96.65 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.6 t-20 -81.82 135.51 35.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.422 HD12 ' CG2' ' A' ' 62' ' ' THR . 28.2 mt -111.55 101.83 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.98 -134.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.51 168.92 9.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.02 131.59 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.88 132.41 53.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 106.14 47.28 1.09 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 3.3 mt -109.37 117.09 53.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.99 130.62 13.46 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . -37.58 148.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.51 -40.82 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -99.89 164.05 12.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -114.24 66.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -114.92 -64.36 1.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.04 48.8 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 47.55 48.89 16.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 7.5 t -159.1 175.47 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.483 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 p -165.91 176.28 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 9.6 m-20 -117.39 75.66 8.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 159.29 41.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HB3' ' CG1' ' A' ' 64' ' ' VAL . 46.5 p90 -158.83 138.98 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 49' ' ' LYS . 90.3 mt -92.12 146.5 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' N ' HG21 ' A' ' 48' ' ' ILE . 15.9 mttt -109.03 126.8 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.451 ' HB3' ' CG2' ' A' ' 60' ' ' VAL . 5.4 ttp -102.29 133.18 47.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.491 ' CG2' ' HG3' ' A' ' 56' ' ' LYS . 39.4 m -139.33 143.56 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.0 mt -98.62 96.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.594 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 30.5 mt -89.71 159.94 42.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.594 ' HA ' ' HB3' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.94 -39.01 1.56 Allowed 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.995 -0.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.586 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.9 pt-20 -21.69 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 52' ' ' ILE . 3.0 tttt 62.4 12.84 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -71.84 -64.8 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.445 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 5.8 m-70 -62.75 94.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.89 129.76 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 50' ' ' MET . 13.1 m -147.49 149.82 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -131.19 161.3 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.422 ' CG2' HD12 ' A' ' 28' ' ' ILE . 40.7 p -96.83 147.36 24.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 126.43 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -74.77 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 4.0 mm? -78.77 167.41 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -109.5 119.6 39.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 42.4 mttt 50.75 81.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -175.5 121.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.9 mm? -77.16 -22.91 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.91 86.07 24.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.1 Cg_endo -75.01 151.54 39.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 89.98 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 6.2 m-85 -79.64 -44.64 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' PHE . 32.3 t70 37.81 42.49 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -86.23 179.36 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.502 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 6.0 m -155.5 125.37 6.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -118.54 130.18 55.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -103.07 152.7 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -150.52 120.54 7.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.4 146.31 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.64 -28.07 5.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 HG21 ' CD1' ' A' ' 87' ' ' ILE . 3.1 mp -65.54 116.15 28.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.551 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.98 16.46 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.551 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 23.3 t80 68.42 -57.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' PRO . 67.5 p -57.04 -16.55 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -89.26 -12.08 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.458 ' CD1' HG21 ' A' ' 82' ' ' ILE . 8.8 mm -55.42 -36.44 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -73.33 -3.87 29.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.52 3.79 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 51.2 mt -103.21 -165.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 173.68 128.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 15' ' ' LEU . 8.2 mt -93.49 142.71 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 33.0 t-80 -123.17 105.13 9.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.426 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 28.5 m-85 -94.16 103.57 15.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 24.9 m -94.93 136.9 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.52 HG13 ' CG2' ' A' ' 131' ' ' ILE . 0.9 OUTLIER -97.81 89.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mp -103.56 -169.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.19 143.13 20.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -74.35 118.51 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -101.98 153.81 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -69.26 -24.18 63.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -96.1 -83.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.05 -43.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 109.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.11 123.3 26.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.11 91.36 5.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mt -66.83 110.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 96' ' ' ILE . 7.6 mt -76.29 -40.86 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.52 -170.77 25.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -148.63 151.48 35.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.3 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.7 t -145.89 148.88 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tp -144.27 140.59 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.634 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -137.53 96.85 10.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 123.69 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 117' ' ' GLY . 28.4 mt -83.02 6.41 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.0 t -69.5 64.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 150.46 -27.36 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -65.26 142.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.505 ' O ' ' CE ' ' A' ' 125' ' ' MET . 0.0 OUTLIER -119.87 129.39 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.8 mt -113.85 10.01 17.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.459 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t -51.04 -62.03 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -45.05 -62.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 175.51 -137.46 3.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.25 143.94 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 16.7 ptp -129.61 148.21 51.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -100.92 134.5 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.488 ' CE ' HG12 ' A' ' 113' ' ' ILE . 6.4 mtm -142.49 156.29 45.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -135.02 159.82 40.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -147.8 144.45 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -85.49 148.32 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.52 ' CG2' HG13 ' A' ' 96' ' ' ILE . 12.2 mt -106.1 118.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.89 -171.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t -90.01 68.76 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.63 154.43 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 136' ' ' SER . 18.3 Cg_endo -75.01 54.87 3.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 135' ' ' PRO . 0.3 OUTLIER 59.31 117.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.05 118.39 25.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.36 117.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.17 138.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.96 -138.49 5.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.82 157.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -104.74 92.39 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.4 146.86 6.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.464 ' CB ' HG23 ' A' ' 131' ' ' ILE . 2.3 mm? -68.71 -87.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.5 -165.97 23.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 98.2 m -118.19 170.29 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 0.717 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -137.9 122.73 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 15.3 m-85 -106.11 139.04 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CD1' HD12 ' A' ' 11' ' ' LEU . 7.6 p90 -166.4 174.67 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 p -149.35 143.26 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 92' ' ' LEU . 4.5 mt -104.51 145.45 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -157.12 129.56 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.4 t80 -101.0 131.47 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' ALA . 32.8 t-20 -75.51 58.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 85.9 m-85 -35.12 -49.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.64 -49.92 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.2 mtp85 -109.88 22.93 15.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.485 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 36.92 67.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.588 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -136.09 170.89 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 6.9 t80 -111.77 137.34 49.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.427 HG12 ' CG2' ' A' ' 76' ' ' THR . 2.2 t -129.15 114.95 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 78.5 t -109.03 98.42 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 9.2 t-20 -83.47 133.48 34.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CD1' ' CG2' ' A' ' 62' ' ' THR . 17.4 mt -112.73 99.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' ILE . 3.1 tttp -61.17 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.475 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.47 174.44 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.92 128.69 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.22 139.51 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 92.7 48.0 3.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.479 HD13 ' CD ' ' A' ' 71' ' ' PRO . 8.4 mt -99.66 119.6 59.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.52 14.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.32 145.6 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.419 ' CE ' HG12 ' A' ' 108' ' ' ILE . 9.9 mmt -110.22 -30.78 7.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.95 -179.67 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -118.83 -7.95 10.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLU . 3.8 mt-30 -38.74 -80.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.39 46.06 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 43.66 33.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 44' ' ' SER . 6.0 t -130.16 -176.0 3.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.473 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 3.1 p -165.55 176.04 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.01 68.11 63.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.5 Cg_endo -74.94 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.048 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.577 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 1.3 p90 -175.95 142.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.3 153.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 93' ' ' HIS . 13.3 mttt -120.65 128.87 53.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 60' ' ' VAL . 3.6 tmm? -95.94 148.14 22.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.509 ' CG2' ' HG2' ' A' ' 56' ' ' LYS . 97.1 m -155.81 125.65 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 HD12 ' CG ' ' A' ' 58' ' ' HIS . 6.8 mt -85.6 97.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 11.7 mt -87.63 157.16 52.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -43.93 0.62 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.02 -0.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.659 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -12.01 -66.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER 80.85 1.59 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -70.18 -55.86 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.66 73.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LYS . 12.1 ttmt -97.33 121.92 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 50' ' ' MET . 13.5 m -141.07 145.55 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.29 148.18 47.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 28' ' ' ILE . 12.0 p -87.22 143.43 27.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.583 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 3.1 ttm180 -38.05 138.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -105.85 95.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.479 HD11 ' CB ' ' A' ' 71' ' ' PRO . 1.4 mt -55.0 169.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 64' ' ' VAL . 21.9 mmt-85 -117.78 123.8 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' O ' ' HB ' ' A' ' 68' ' ' THR . 4.1 mttt 58.81 89.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 8.0 t -177.16 119.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.9 -26.65 54.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -123.73 75.58 55.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.59 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.98 139.91 24.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.91 97.03 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.8 m-85 -84.66 -39.6 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.38 48.91 2.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.6 mm-40 -88.8 170.62 10.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.427 ' CG2' HG12 ' A' ' 25' ' ' VAL . 15.5 m -152.74 131.61 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.438 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -121.46 131.49 54.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -102.83 155.42 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 78' ' ' THR . 26.4 m-85 -151.48 121.24 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.438 ' CZ ' HG21 ' A' ' 78' ' ' THR . 49.2 m-85 -104.44 148.22 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.2 -24.21 8.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.7 mp -66.73 121.97 80.01 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.05 15.77 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.576 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 27.2 t80 68.55 -56.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -57.75 -15.67 8.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -88.71 -15.14 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 82' ' ' ILE . 14.2 mm -51.75 -47.17 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.34 -11.19 20.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.71 10.06 40.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.5 mt -110.25 -172.37 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.98 131.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.46 ' CD1' HD23 ' A' ' 15' ' ' LEU . 13.5 mt -98.99 137.35 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 35.9 t-80 -118.1 105.04 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.578 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.488 ' CD2' HD13 ' A' ' 11' ' ' LEU . 26.1 m-85 -93.42 100.16 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.0 m -92.01 118.22 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.7 mp -88.13 88.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 4.2 mp -94.19 -164.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.45 102.13 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -76.33 138.86 40.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 0.5 OUTLIER -166.48 61.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 1.9 ptt85 45.8 -173.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.5 ' CD1' ' HD2' ' A' ' 101' ' ' ARG . 8.2 m-85 35.22 34.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER 77.41 -70.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 103' ' ' SER . 2.5 mmt180 38.82 91.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.81 79.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.0 93.36 6.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.59 98.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 96' ' ' ILE . 72.0 mt -67.21 -32.06 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -178.89 167.67 38.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.34 136.9 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.6 t -129.39 150.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 tp -145.99 143.7 29.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.635 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -140.53 96.51 7.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.04 7.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 11.4 mt -76.7 0.19 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.35 76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 136.49 -41.11 1.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.6 mm -43.28 139.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -115.86 103.63 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 121' ' ' SER . 68.3 mt -92.98 -14.32 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 120' ' ' LEU . 1.0 OUTLIER -32.13 -65.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.54 -58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.89 -140.82 6.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -81.64 142.04 33.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 13.9 ptp -131.18 140.37 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.35 137.4 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.486 ' CE ' HG12 ' A' ' 113' ' ' ILE . 8.0 mtm -144.08 154.86 43.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -135.65 140.78 44.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.87 150.52 46.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 149.02 21.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 8' ' ' LEU . 5.4 mt -109.08 113.93 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.75 -172.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.0 t -89.96 75.09 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.5 158.52 0.13 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 140.35 25.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.781 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.5 t -113.73 123.49 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.11 -60.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.941 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.781 ' HB3' HG22 ' A' ' 131' ' ' ILE . 5.1 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.656 ' O ' HD12 ' A' ' 131' ' ' ILE . . . -57.85 -153.98 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 11' ' ' LEU . 46.8 m -114.39 169.51 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.967 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -131.5 123.17 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.967 ' N ' HD22 ' A' ' 11' ' ' LEU . 20.2 m-85 -105.95 142.66 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.523 ' O ' HD13 ' A' ' 126' ' ' LEU . 11.6 p90 -167.25 160.9 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.951 ' HB3' HD22 ' A' ' 126' ' ' LEU . 3.9 p -138.44 122.06 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -79.32 152.01 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -158.39 141.24 14.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 58.9 t80 -122.4 120.91 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.628 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 12.9 t-20 -68.42 68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 96.0 m-85 -47.59 -42.78 24.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -47.92 -48.25 31.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -111.56 22.93 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 38.47 67.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -135.12 163.24 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.707 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -104.38 140.01 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG1' HG23 ' A' ' 76' ' ' THR . 48.9 t -133.89 122.17 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.707 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 70.7 t -116.69 96.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 11.5 t-20 -84.09 136.32 34.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.959 HG21 HG21 ' A' ' 62' ' ' THR . 2.5 mt -114.59 102.43 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 2.7 tptt -61.55 -139.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.487 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.5 pt-20 -114.19 169.95 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.631 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -121.65 130.59 53.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.03 140.02 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 85.73 41.38 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.631 HD21 ' HB1' ' A' ' 31' ' ' ALA . 2.1 mt -86.16 129.7 52.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 132.17 15.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.798 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.59 151.31 41.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.456 0.17 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 67' ' ' LYS . 10.1 t -159.36 177.38 11.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.503 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.12 176.45 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.54 73.67 11.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.03 159.92 40.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.746 ' HB3' HG22 ' A' ' 64' ' ' VAL . 11.0 p90 -157.53 136.71 11.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.517 HD13 ' HG ' ' A' ' 11' ' ' LEU . 45.8 mt -91.77 130.54 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -95.35 135.87 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.815 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.6 ttp -104.14 140.66 37.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.3 m -154.65 135.58 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 58' ' ' HIS . 42.2 mt -95.32 95.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 56' ' ' LYS . 2.3 mm? -86.76 157.2 55.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.643 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.01 -43.86 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.643 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -15.5 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.581 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.4 tttt 72.25 12.64 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.01 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.532 ' HB2' HD12 ' A' ' 52' ' ' ILE . 69.7 m-70 -51.26 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -102.22 125.0 48.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 50' ' ' MET . 19.1 m -148.26 153.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 157.38 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.959 HG21 HG21 ' A' ' 28' ' ' ILE . 73.5 p -89.6 144.49 25.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -38.22 147.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.746 HG22 ' HB3' ' A' ' 47' ' ' TYR . 3.0 t -95.15 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.4 mm? -56.31 178.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' LYS . 6.8 mmt-85 -130.39 113.47 14.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.684 ' HB3' HG21 ' A' ' 43' ' ' THR . 48.7 mttt 48.56 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER 174.61 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.27 0.53 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 21.9 t0 -142.8 64.35 14.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.834 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 150.99 38.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -127.95 106.97 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -91.37 -41.53 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 32.0 t0 39.7 50.83 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.7 mt-10 -89.05 176.28 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.48 HG23 ' CG1' ' A' ' 25' ' ' VAL . 2.6 m -158.93 131.31 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.82 133.73 53.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.542 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.6 m -101.98 156.21 17.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 78' ' ' THR . 21.6 m-85 -153.8 137.87 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.405 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 97.1 m-85 -120.65 145.89 46.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.69 -25.6 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.628 HD13 ' HB2' ' A' ' 24' ' ' PHE . 2.0 mp -65.54 123.44 84.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.591 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.06 14.48 0.86 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.591 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 18.1 t80 67.34 -56.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 69.3 p -55.54 -17.5 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.0 -15.97 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.807 HD13 HD12 ' A' ' 90' ' ' LEU . 27.2 mm -52.39 -38.91 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.48 -9.01 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.06 13.22 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 87' ' ' ILE . 81.3 mt -106.58 178.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.92 129.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -90.73 113.54 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.479 ' HB2' HD23 ' A' ' 53' ' ' LEU . 19.8 t-80 -95.58 105.62 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -97.34 108.02 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.526 ' O ' HD12 ' A' ' 97' ' ' LEU . 20.9 m -99.06 117.66 34.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.606 HD13 HG12 ' A' ' 131' ' ' ILE . 4.9 mp -90.07 88.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -96.21 -165.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.518 HG13 HD23 ' A' ' 97' ' ' LEU . 24.6 mt -63.46 104.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.488 HG22 HD22 ' A' ' 8' ' ' LEU . 13.3 mt -65.42 -30.02 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.413 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . 177.55 169.96 39.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -123.24 135.2 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 11' ' ' LEU . 2.5 t -126.1 144.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 tp -140.08 140.8 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 113' ' ' ILE . 2.8 tp -139.38 94.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.15 5.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.617 HD11 HD21 ' A' ' 92' ' ' LEU . 29.7 mt -74.96 -1.08 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.6 t -64.23 91.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.61 -30.4 5.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.467 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.7 mm -57.85 147.8 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -122.09 102.97 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 15' ' ' LEU . 11.4 mt -93.88 -17.34 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 54.8 p -37.36 -57.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.61 -46.9 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 159.69 -141.32 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -90.84 141.04 29.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.467 ' CE ' HG23 ' A' ' 118' ' ' ILE . 14.8 ptp -134.38 140.45 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.951 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -87.65 140.33 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.562 ' HE3' HG12 ' A' ' 113' ' ' ILE . 6.3 mtm -143.73 155.76 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.88 159.66 40.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -144.91 143.42 30.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.81 141.0 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.781 HG22 ' HB3' ' A' ' 8' ' ' LEU . 6.9 mt -99.01 121.42 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.65 ' HA ' HD12 ' A' ' 8' ' ' LEU . 2.2 pp -134.16 -172.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.715 HD22 ' CG2' ' A' ' 108' ' ' ILE . 83.8 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.432 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -161.36 -160.84 11.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 11' ' ' LEU . 72.6 m -124.47 171.46 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.451 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.982 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -138.38 122.57 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.982 ' N ' HD22 ' A' ' 11' ' ' LEU . 19.0 m-85 -106.86 143.39 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.765 ' O ' HD13 ' A' ' 126' ' ' LEU . 7.1 p90 -170.83 171.06 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.98 ' HB3' HD22 ' A' ' 126' ' ' LEU . 2.6 p -147.7 131.78 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -90.79 144.62 25.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.5 tt0 -155.62 125.35 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 67.8 t80 -102.84 128.81 49.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.495 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 20.0 t30 -75.28 85.99 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.4 -47.99 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -59.62 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.6 mtp180 -101.61 23.79 10.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 35.38 70.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -133.67 171.21 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.647 ' HB3' HD13 ' A' ' 82' ' ' ILE . 4.7 t80 -116.52 128.19 55.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.767 HG12 HG23 ' A' ' 76' ' ' THR . 2.5 t -118.57 126.36 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.644 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 61.2 t -114.53 94.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 10.9 t-20 -79.96 125.99 30.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.603 HG21 HG21 ' A' ' 62' ' ' THR . 86.2 mt -108.19 100.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.6 tttp -61.12 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.44 172.46 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.58 137.48 52.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.9 47.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.769 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.22 46.67 1.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 33' ' ' GLY . 2.3 mt -107.57 115.61 59.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.65 157.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.3 mmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.402 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.491 0.186 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.835 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.2 t -176.13 171.06 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.528 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 p -165.71 176.62 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.416 ' HB3' HG13 ' A' ' 64' ' ' VAL . 45.6 m-20 -118.23 72.97 9.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.03 149.21 36.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 9.2 p90 -145.84 138.84 25.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.54 133.21 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' A' ' 61' ' ' LYS . 14.7 mttt -105.07 124.13 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.753 ' HB3' HG23 ' A' ' 60' ' ' VAL . 5.0 ttp -96.6 149.8 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 59' ' ' LYS . 97.9 m -155.12 129.43 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.536 HD12 ' HB2' ' A' ' 58' ' ' HIS . 22.5 mt -85.9 90.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 93' ' ' HIS . 55.9 mt -86.25 157.27 56.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.03 -22.73 13.58 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 54' ' ' PRO . 15.6 mt-10 -25.62 -64.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 tttt 74.84 3.76 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -73.3 -66.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HD12 ' A' ' 52' ' ' ILE . 34.0 m170 -62.47 94.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HG2' HG23 ' A' ' 51' ' ' THR . 0.3 OUTLIER -108.94 119.48 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.753 HG23 ' HB3' ' A' ' 50' ' ' MET . 14.3 m -137.62 145.03 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -124.97 156.83 37.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.603 HG21 HG21 ' A' ' 28' ' ' ILE . 40.5 p -90.2 146.76 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -42.42 147.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 45' ' ' ASP . 12.7 t -90.33 98.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.806 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.3 mm? -54.91 166.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -121.29 125.76 47.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.835 ' HG2' HG21 ' A' ' 43' ' ' THR . 14.4 mttt 42.91 84.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 68' ' ' THR . 1.0 OUTLIER -177.83 119.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.5 mm? -74.88 -28.46 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -116.15 87.43 19.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.94 159.57 41.38 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.74 90.62 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.485 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 2.4 m-85 -80.69 -43.09 20.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 73' ' ' PHE . 61.7 t0 38.04 43.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.7 mm-40 -87.95 -178.25 5.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.767 HG23 HG12 ' A' ' 25' ' ' VAL . 3.9 m -156.24 123.73 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 41.7 m-85 -115.28 127.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -98.82 157.49 16.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 32.6 m-85 -155.99 119.37 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.23 155.58 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.87 -44.43 1.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.732 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.4 mp -49.77 114.06 3.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.66 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.547 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 23.2 t80 67.23 -57.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 70.5 p -55.63 -17.51 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -88.39 -11.91 44.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.732 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.7 mm -56.17 -36.92 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.25 -6.05 26.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -111.22 9.91 21.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 69.6 mt -109.13 -175.63 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -178.0 124.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.559 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.7 mt -88.04 132.42 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.746 ' HB2' HD12 ' A' ' 53' ' ' LEU . 36.7 t-80 -115.66 106.94 14.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -97.91 122.64 41.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.551 ' O ' HD12 ' A' ' 97' ' ' LEU . 41.8 m -115.18 120.59 40.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.747 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -90.22 87.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -92.28 -163.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.491 HG13 HD23 ' A' ' 97' ' ' LEU . 32.9 mt -63.97 108.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.715 ' CG2' HD22 ' A' ' 8' ' ' LEU . 12.1 mt -76.49 -46.96 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.27 167.98 35.12 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -122.43 131.97 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 11' ' ' LEU . 55.2 t -125.29 138.53 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tp -134.94 142.67 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.2 tp -140.73 96.97 7.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.2 5.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.759 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.4 mt -77.79 2.22 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.0 t -68.1 91.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.86 -28.76 5.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.0 mm -65.3 149.15 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.513 ' O ' ' CE ' ' A' ' 125' ' ' MET . 0.0 OUTLIER -126.06 140.19 52.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 15' ' ' LEU . 34.3 mt -126.68 14.72 7.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -62.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -46.53 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 164.31 -139.0 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -96.73 146.11 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.8 ptp -132.79 160.92 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.98 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -105.35 140.26 38.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.456 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.5 mtm -142.75 150.35 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -135.37 162.85 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.49 146.01 23.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.61 146.3 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.428 HD12 ' CA ' ' A' ' 10' ' ' THR . 8.8 mt -106.13 125.1 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.78 -172.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.958 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.848 ' HB2' HG22 ' A' ' 131' ' ' ILE . 3.3 mm? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.594 ' C ' HD12 ' A' ' 131' ' ' ILE . . . 116.45 -177.03 16.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 11' ' ' LEU . 59.3 m -117.25 167.77 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.966 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.05 122.15 20.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.966 ' N ' HD22 ' A' ' 11' ' ' LEU . 33.9 m-85 -107.79 136.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -160.31 173.38 15.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.8 129.81 14.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -89.71 136.27 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.7 tt0 -144.7 127.04 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -104.87 134.7 47.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.765 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 12.7 t-20 -83.4 60.75 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 17.5 m-85 -41.59 -50.28 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.8 -47.83 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.1 mtp180 -107.26 22.81 15.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.5 mmtt 37.18 69.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.765 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -142.02 172.76 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.761 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.9 t80 -121.3 140.08 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 77' ' ' PHE . 4.1 t -131.2 128.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.761 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 44.5 t -115.58 93.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.57 127.92 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.53 HG21 HG21 ' A' ' 62' ' ' THR . 5.4 mt -108.43 99.56 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.21 -137.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 10.8 pt-20 -113.87 175.0 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.59 154.34 46.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.66 143.12 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 94.82 32.32 7.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.42 HD12 ' CD ' ' A' ' 71' ' ' PRO . 6.4 mt -92.6 120.38 67.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.77 15.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.47 114.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.425 ' HG3' HD11 ' A' ' 108' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.486 0.184 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.443 HG21 ' HG2' ' A' ' 67' ' ' LYS . 5.0 t -165.77 176.99 7.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.53 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 p -165.68 176.53 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' A' ' 64' ' ' VAL . 48.8 m-20 -117.96 73.24 9.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.95 145.42 31.62 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.702 ' CB ' HG12 ' A' ' 64' ' ' VAL . 38.0 p90 -142.49 139.17 31.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.5 mt -93.16 136.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -103.36 155.96 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.658 ' HB3' HG23 ' A' ' 60' ' ' VAL . 6.0 ttp -123.74 150.04 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.633 HG22 HD22 ' A' ' 53' ' ' LEU . 14.9 m -160.49 138.09 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.583 HG23 ' HG ' ' A' ' 90' ' ' LEU . 8.1 mt -96.37 92.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.633 HD22 HG22 ' A' ' 51' ' ' THR . 3.4 mm? -83.91 156.42 64.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.0 -24.49 11.32 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.051 -0.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -24.4 -68.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.594 ' HG3' HG21 ' A' ' 51' ' ' THR . 53.0 tttt 81.08 -2.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.0 mmtt -66.67 -84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -47.44 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.646 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -111.71 124.21 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.658 HG23 ' HB3' ' A' ' 50' ' ' MET . 12.3 m -137.41 146.18 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -125.27 163.09 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.53 HG21 HG21 ' A' ' 28' ' ' ILE . 21.6 p -102.92 155.34 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 125.63 25.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.702 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -77.2 128.54 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.8 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -72.56 167.55 20.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -111.1 116.43 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HG2' HG21 ' A' ' 43' ' ' THR . 18.1 mttt 53.75 82.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -175.28 126.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 69' ' ' LEU . 3.0 mm? -83.92 -20.61 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 p-10 -118.63 80.2 16.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.8 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -75.04 148.35 35.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -128.72 92.37 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 3.6 m-85 -81.83 -45.98 14.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t70 42.24 43.81 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.16 -177.67 6.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.501 HG23 ' CG1' ' A' ' 25' ' ' VAL . 3.1 m -160.97 126.76 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.898 ' O ' HG13 ' A' ' 25' ' ' VAL . 27.0 m-85 -112.35 162.14 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 5.2 m -132.23 154.08 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 78' ' ' THR . 24.2 m-85 -156.51 129.07 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.407 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 94.2 m-85 -111.88 143.93 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.69 -22.35 8.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.594 HG22 ' H ' ' A' ' 84' ' ' TYR . 3.0 mp -64.76 117.78 41.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.572 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 17.19 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.594 ' H ' HG22 ' A' ' 82' ' ' ILE . 19.3 t80 66.4 -56.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.4 p -55.37 -17.85 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.61 -13.73 50.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.527 HD11 HG21 ' A' ' 82' ' ' ILE . 16.6 mm -56.39 -54.77 24.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.41 -30.76 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -82.73 -26.52 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.583 ' HG ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -66.7 -170.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 176.16 120.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 15' ' ' LEU . 12.8 mt -84.26 143.05 29.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.468 ' HB2' HD23 ' A' ' 53' ' ' LEU . 30.4 t-80 -126.23 105.3 8.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 11' ' ' LEU . 23.1 m-85 -93.44 115.48 28.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 m -108.62 122.49 47.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.85 91.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.494 HD23 HG13 ' A' ' 107' ' ' ILE . 4.4 mp -98.33 -164.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 37' ' ' MET . 32.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.494 HG13 HD23 ' A' ' 97' ' ' LEU . 36.8 mt -63.09 121.05 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.425 HD11 ' HG3' ' A' ' 37' ' ' MET . 23.0 mt -96.0 -31.56 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.36 170.81 41.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.77 135.69 49.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 11' ' ' LEU . 8.9 t -131.92 145.31 35.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.9 tp -143.36 142.11 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -139.65 97.88 8.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.13 6.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.3 mt -73.48 -3.84 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.1 t -55.68 97.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.93 -29.7 9.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.689 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.9 mm -50.78 140.79 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 6.5 pt-20 -118.13 116.86 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 15' ' ' LEU . 67.1 mt -108.61 -11.84 15.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 13.0 t -48.57 -56.02 9.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -46.85 -38.64 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . 144.0 155.68 6.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.1 OUTLIER -39.86 143.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.689 ' CE ' HG23 ' A' ' 118' ' ' ILE . 2.7 ptt? -135.87 154.46 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 127' ' ' MET . 0.6 OUTLIER -93.41 138.66 31.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.666 ' N ' HD13 ' A' ' 126' ' ' LEU . 1.7 mtm -142.21 146.73 35.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.36 165.22 21.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.5 147.43 24.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -88.65 144.64 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.848 HG22 ' HB2' ' A' ' 8' ' ' LEU . 7.2 mt -106.21 114.36 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.48 -172.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.969 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.654 ' HB3' HG22 ' A' ' 131' ' ' ILE . 9.4 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 121.19 177.41 15.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.2 m -117.02 159.25 22.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.97 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -125.35 122.07 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.97 ' N ' HD22 ' A' ' 11' ' ' LEU . 11.5 m-85 -104.92 137.19 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' O ' HD13 ' A' ' 126' ' ' LEU . 9.8 p90 -166.03 167.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.6 ' HB2' HD22 ' A' ' 126' ' ' LEU . 29.5 t -142.26 146.0 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 120' ' ' LEU . 4.7 mt -106.4 142.38 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -153.56 122.13 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 54.1 t80 -99.78 131.96 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.513 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 8.0 t-20 -76.53 95.3 3.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.09 -32.0 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.57 -43.85 95.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.8 mtp85 -114.08 21.49 14.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASN . 3.7 mmtt 36.99 69.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.75 177.93 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -122.53 138.19 54.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.76 HG12 HG23 ' A' ' 76' ' ' THR . 2.4 t -131.68 123.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 85.1 t -114.51 88.36 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -68.82 131.32 44.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.648 HG21 HG21 ' A' ' 62' ' ' THR . 4.6 mt -110.51 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -63.27 -141.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -114.29 167.92 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.02 139.56 52.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 142.39 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 85.04 50.89 3.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD22 ' CD ' ' A' ' 71' ' ' PRO . 5.0 mp -99.1 125.2 42.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 139.88 24.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.58 144.63 47.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.403 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.477 0.18 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.7 HG21 ' HG2' ' A' ' 67' ' ' LYS . 14.8 t -156.88 160.41 39.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.525 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.1 m -156.52 176.45 12.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -118.84 72.47 11.3 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.98 168.04 25.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.729 ' CB ' HG12 ' A' ' 64' ' ' VAL . 36.3 p90 -165.56 138.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.4 mt -91.87 141.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HD2' HD13 ' A' ' 97' ' ' LEU . 8.9 mttt -113.51 126.41 55.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.538 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.2 tmm? -96.21 148.85 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.633 HG23 ' HG2' ' A' ' 59' ' ' LYS . 98.8 m -157.93 129.22 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 3.4 mt -87.41 101.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.5 mt -90.36 158.32 43.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.631 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.01 -39.94 1.33 Allowed 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.631 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -16.58 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HG3' HG21 ' A' ' 51' ' ' THR . 2.6 tttt 74.02 13.6 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -71.16 -78.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -52.79 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.595 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.633 ' HG2' HG23 ' A' ' 51' ' ' THR . 50.1 mtpt -106.35 116.03 31.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.7 m -128.51 148.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -128.2 148.82 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.648 HG21 HG21 ' A' ' 28' ' ' ILE . 64.2 p -88.53 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 124.3 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.729 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -74.14 128.03 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.773 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -71.93 170.9 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -112.67 129.69 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.7 ' HG2' HG21 ' A' ' 43' ' ' THR . 10.7 mttt 40.26 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 7.5 t -175.31 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -97.26 7.82 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 85.68 4.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.773 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 149.74 37.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.8 89.65 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' ASP . 3.1 m-85 -78.03 -43.5 29.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' PHE . 6.2 p-10 37.5 42.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 179.17 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.76 HG23 HG12 ' A' ' 25' ' ' VAL . 2.8 m -152.49 126.99 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -116.78 120.15 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -96.81 141.96 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -135.94 121.19 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -101.91 131.25 48.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.9 -44.86 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.691 HG21 ' CD1' ' A' ' 87' ' ' ILE . 3.9 mp -43.9 117.53 2.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.575 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.97 15.7 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.598 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.1 t80 68.65 -56.76 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.7 p -57.14 -16.19 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.14 -11.29 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.691 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.6 mm -56.41 -53.19 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 116' ' ' SER . 20.5 mt-30 -49.89 -24.54 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.13 -24.87 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -66.76 -177.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 179.65 131.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.621 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -93.96 132.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.509 ' HB2' HD12 ' A' ' 53' ' ' LEU . 81.8 t60 -115.43 104.52 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -97.71 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 97' ' ' LEU . 47.7 m -107.96 121.86 45.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.459 HG22 ' HB ' ' A' ' 108' ' ' ILE . 5.3 mp -90.15 92.74 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.1 mp -94.51 -166.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 12.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.1 mt -70.34 124.77 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.599 ' CG2' HD22 ' A' ' 8' ' ' LEU . 18.6 mt -93.4 -43.59 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.76 160.04 33.39 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.75 139.66 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.43 HG11 HD12 ' A' ' 11' ' ' LEU . 6.9 t -134.75 149.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -150.71 142.91 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.64 HG23 ' O ' ' A' ' 113' ' ' ILE . 0.8 OUTLIER -139.33 98.26 8.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.4 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.621 HD21 ' CD2' ' A' ' 92' ' ' LEU . 21.8 mt -82.04 6.43 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -70.97 57.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.84 -33.38 0.39 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -68.62 136.89 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 7.0 pt-20 -121.38 124.45 44.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 15' ' ' LEU . 3.4 mt -107.36 -1.66 21.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.9 -36.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -55.37 10.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.96 -144.65 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -89.66 145.38 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 8.8 ptp -141.0 138.31 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' A' ' 14' ' ' SER . 0.0 OUTLIER -80.02 142.3 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.582 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.9 OUTLIER -142.3 146.99 35.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.74 135.75 40.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.21 148.24 49.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.61 147.22 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.654 HG22 ' HB3' ' A' ' 8' ' ' LEU . 7.4 mt -103.55 128.62 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.0 pp -142.92 -171.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.638 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.474 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -176.65 -158.55 20.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 11' ' ' LEU . 94.2 m -119.41 174.12 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.707 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -144.64 115.95 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.681 ' N ' HD22 ' A' ' 11' ' ' LEU . 14.1 m-85 -99.43 138.7 36.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -165.37 171.7 13.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.16 146.99 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.84 HD21 ' CD1' ' A' ' 92' ' ' LEU . 5.7 mt -111.06 146.13 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.6 tp10 -157.45 137.48 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 39.5 t80 -112.08 121.29 44.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.829 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 54.0 t-20 -69.72 74.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 2.6 m-85 -49.4 -45.85 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -43.53 -50.84 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.7 mtp180 -112.19 25.67 11.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 35.64 67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.829 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.65 167.42 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.678 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.7 t80 -112.53 135.43 53.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG1' HG23 ' A' ' 76' ' ' THR . 22.6 t -127.4 122.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.678 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 79.5 t -116.4 95.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -78.25 140.61 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.598 HG21 HG21 ' A' ' 62' ' ' THR . 8.2 mt -117.87 100.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HE3' HD21 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -61.64 -137.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.483 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.38 175.57 5.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -128.57 131.54 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.61 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.699 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 91.22 61.46 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 33' ' ' GLY . 8.1 mt -115.63 124.04 30.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.75 15.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.02 141.13 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 108' ' ' ILE . 13.3 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.482 0.182 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.856 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.0 t -168.12 170.2 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.502 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.48 176.86 7.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' HB3' HG13 ' A' ' 64' ' ' VAL . 55.9 m-20 -121.32 71.4 24.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -74.99 149.34 36.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 97' ' ' LEU . 46.5 p90 -141.92 138.03 31.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' ' 31' ' ' ALA . 22.2 mt -92.37 144.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -106.09 160.6 15.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.797 ' HB3' HG23 ' A' ' 60' ' ' VAL . 2.5 ttp -135.97 129.66 32.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.513 HG22 HD22 ' A' ' 53' ' ' LEU . 8.3 m -141.67 137.28 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.2 mt -91.41 91.91 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.625 HD11 ' HG3' ' A' ' 56' ' ' LYS . 3.2 mm? -84.86 156.3 61.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -24.33 11.53 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.979 0.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -23.88 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.625 ' HG3' HD11 ' A' ' 53' ' ' LEU . 12.1 tttt 78.84 2.95 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.9 mmtt -69.19 -90.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -44.43 96.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.3 mtpt -105.04 119.46 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 50' ' ' MET . 17.4 m -134.65 149.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.96 162.26 32.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.598 HG21 HG21 ' A' ' 28' ' ' ILE . 19.4 p -91.79 164.96 13.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -59.46 165.3 2.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.49 HG22 ' HB3' ' A' ' 47' ' ' TYR . 12.4 t -107.97 100.25 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.863 HD23 ' CB ' ' A' ' 71' ' ' PRO . 1.9 mm? -58.21 165.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -120.29 128.58 53.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.856 ' HG2' HG21 ' A' ' 43' ' ' THR . 18.2 mttt 43.79 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -177.56 139.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 34' ' ' LEU . 6.6 mt -93.22 -22.89 18.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' ALA . 4.9 m-20 -119.73 87.59 37.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.863 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 136.35 20.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -116.3 93.32 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 71' ' ' PRO . 2.9 m-85 -83.26 -45.09 14.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' PHE . 4.2 m-20 39.64 44.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.7 -178.57 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 ' CG1' ' A' ' 25' ' ' VAL . 19.4 m -159.05 127.24 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -115.91 135.18 54.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.409 ' C ' ' CG ' ' A' ' 79' ' ' PHE . 3.6 m -103.03 157.5 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.439 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CG ' ' C ' ' A' ' 78' ' ' THR . 36.9 m-85 -155.2 125.69 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -103.27 153.0 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.27 -57.9 0.87 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CG2' HD11 ' A' ' 90' ' ' LEU . 2.9 mp -44.96 109.32 0.88 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.96 134.54 18.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.48 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 19.5 t80 -47.83 -28.78 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.7 p -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -84.67 -20.77 30.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.582 HD13 HD12 ' A' ' 90' ' ' LEU . 12.8 mm -50.71 -45.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -61.42 -12.59 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.5 10.21 25.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.582 HD12 HD13 ' A' ' 87' ' ' ILE . 76.3 mt -107.16 -178.46 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -175.22 124.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.84 ' CD1' HD21 ' A' ' 15' ' ' LEU . 15.1 mt -89.47 136.71 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.448 ' HB2' HD23 ' A' ' 53' ' ' LEU . 25.3 t-80 -117.32 106.13 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 29.2 m-85 -93.06 114.79 27.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.673 HG22 ' CD2' ' A' ' 97' ' ' LEU . 22.9 m -109.44 117.57 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.0 mp -87.49 98.2 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.673 ' CD2' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -88.97 -171.45 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.839 ' OG ' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.596 HG23 HG22 ' A' ' 95' ' ' THR . 39.5 mt -60.4 105.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.839 HD11 ' OG ' ' A' ' 98' ' ' SER . 80.4 mt -64.26 -43.46 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.75 177.04 34.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -128.96 140.21 51.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.2 t -136.32 143.8 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 tp -136.96 147.83 46.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.6 tp -145.44 95.68 4.97 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.05 5.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.28 1.66 18.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.7 t -63.23 94.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.27 -25.55 9.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.69 140.61 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.41 ' C ' ' OE1' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -123.99 134.96 53.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.5 mt -120.73 15.53 11.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -50.78 72.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 165.5 -140.06 6.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 146.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.8 ptp -132.94 150.79 52.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -98.01 139.57 33.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.633 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.8 mtm -143.55 151.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.62 144.46 46.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -133.23 146.26 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 142.77 27.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.638 HG22 ' HB2' ' A' ' 8' ' ' LEU . 4.7 mt -101.6 120.26 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.35 -172.6 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.54 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.6 mm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.1 -165.95 19.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 m -120.23 164.57 16.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 48' ' ' ILE . 4.4 tp -130.93 139.72 50.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.504 ' N ' HD12 ' A' ' 11' ' ' LEU . 24.3 m-85 -123.37 141.62 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 6.5 p90 -169.45 162.4 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.571 ' HB3' HD22 ' A' ' 126' ' ' LEU . 5.1 p -132.95 124.39 27.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.662 HD21 HD23 ' A' ' 92' ' ' LEU . 2.5 mt -87.92 140.26 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -152.19 118.08 5.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 29.6 t80 -103.89 131.87 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.684 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 63.0 t-20 -79.61 122.4 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.8 m-85 -89.73 -32.74 16.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.37 -44.33 84.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.0 mtp180 -117.92 23.51 11.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER 36.54 63.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.684 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -120.41 172.21 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.705 ' CB ' HD13 ' A' ' 82' ' ' ILE . 5.3 t80 -125.99 123.22 38.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 HG23 ' A' ' 76' ' ' THR . 2.3 t -115.78 117.74 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 HD23 ' A' ' 15' ' ' LEU . 90.9 t -111.78 90.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.06 136.73 45.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' LYS . 11.7 mt -114.02 101.77 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.06 -135.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.473 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.3 pt-20 -114.21 174.07 6.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.52 141.49 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -134.42 134.41 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 102.99 47.14 1.38 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD23 ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -107.52 116.31 57.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.54 13.36 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.43 1.753 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.82 149.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.506 0.194 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.548 HG21 ' HB3' ' A' ' 67' ' ' LYS . 13.1 t -160.88 154.85 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.496 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.0 p -139.67 177.69 7.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -116.43 75.88 6.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.496 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.08 153.84 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 8.7 p90 -152.3 137.15 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.667 ' CD1' HD13 ' A' ' 11' ' ' LEU . 11.7 mt -92.78 128.37 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.49 125.01 39.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.735 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.8 ttp -96.52 134.45 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 56' ' ' LYS . 86.8 m -148.18 125.53 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.67 HD12 ' HB2' ' A' ' 58' ' ' HIS . 61.4 mt -81.45 93.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 93' ' ' HIS . 29.1 mt -86.51 158.45 54.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.02 -19.88 17.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.02 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -28.19 -69.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.639 ' HA ' HG22 ' A' ' 51' ' ' THR . 0.8 OUTLIER 79.4 2.31 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 17.6 mmtt -71.03 -83.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.67 ' HB2' HD12 ' A' ' 52' ' ' ILE . 3.3 m-70 -50.0 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.59 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -107.27 129.67 54.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 50' ' ' MET . 9.1 m -140.69 149.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -126.33 168.48 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 p -84.94 178.25 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.92 4.06 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 47' ' ' TYR . 41.6 t 50.89 98.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -61.22 163.14 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -116.04 107.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.548 ' HB3' HG21 ' A' ' 43' ' ' THR . 12.6 mttt 56.62 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.95 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.26 -5.13 40.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -141.25 68.35 26.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.804 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 155.3 42.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.13 102.09 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CE1' HD23 ' A' ' 65' ' ' LEU . 3.3 m-85 -82.63 -45.62 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 40.9 43.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -175.92 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.67 HG23 HG12 ' A' ' 25' ' ' VAL . 2.9 m -158.12 129.73 6.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 51.4 m-85 -126.23 121.96 34.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -97.44 158.28 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 78' ' ' THR . 36.9 m-85 -155.85 131.86 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 32.1 m-85 -110.28 138.26 46.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.5 -31.96 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.751 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.0 mt -63.04 116.11 22.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.61 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.576 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 27.8 t80 67.13 -57.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 42.5 p -56.11 -17.73 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.0 tt0 -89.21 -11.65 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.751 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.1 mm -56.06 -45.04 80.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -60.2 -13.35 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -104.11 10.57 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 83.1 mt -109.52 -177.98 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -176.32 122.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.787 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.7 OUTLIER -83.61 114.38 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.739 ' HB2' HD12 ' A' ' 53' ' ' LEU . 20.9 t-80 -94.03 104.98 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.497 ' CD2' HD21 ' A' ' 11' ' ' LEU . 28.9 m-85 -96.71 109.84 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 97' ' ' LEU . 22.5 m -102.91 120.29 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.1 mp -93.34 87.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.8 mp -95.26 -162.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.469 HG13 HD23 ' A' ' 97' ' ' LEU . 32.8 mt -65.14 111.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.413 HG22 ' HG ' ' A' ' 8' ' ' LEU . 48.4 mt -79.88 -29.1 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.465 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -173.88 176.95 46.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.67 131.96 45.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.612 HG11 HD23 ' A' ' 11' ' ' LEU . 3.3 t -127.77 147.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 tp -146.81 139.53 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.708 HG23 ' O ' ' A' ' 113' ' ' ILE . 4.1 tp -134.12 94.73 17.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 92' ' ' LEU . 10.0 mt -77.88 2.61 16.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.1 t -60.41 87.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.3 -21.88 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.43 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.4 mm -65.72 148.97 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 125' ' ' MET . 4.5 pt-20 -124.94 122.21 36.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' GLU . 32.4 mt -122.49 46.51 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -67.74 66.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.047 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.525 ' HG3' ' CG ' ' A' ' 19' ' ' PHE . 6.6 mt-10 66.45 8.01 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.24 112.97 3.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -79.07 128.71 33.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.7 ptp -125.51 137.9 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -83.26 140.22 32.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.628 ' HE3' ' CG1' ' A' ' 113' ' ' ILE . 2.2 mtm -141.65 153.77 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 1.2 p30 -136.4 160.82 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.51 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 12.6 mmt-85 -146.09 148.83 33.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -96.55 137.92 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.54 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.5 mt -96.6 121.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.56 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.015 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.597 HD22 HG23 ' A' ' 108' ' ' ILE . 23.2 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.451 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -161.7 -165.65 18.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 11' ' ' LEU . 56.5 m -121.65 169.07 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.51 118.68 15.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.894 ' N ' HD22 ' A' ' 11' ' ' LEU . 14.5 m-85 -104.94 139.73 39.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.1 p90 -163.83 163.79 23.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.451 ' HB3' HD22 ' A' ' 126' ' ' LEU . 5.0 p -136.5 118.72 15.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -78.62 150.28 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' VAL . 13.1 tt0 -161.97 132.19 4.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 76.8 t80 -111.91 131.66 55.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -79.81 95.33 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.19 -43.8 93.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.41 -56.2 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.4 mtt-85 -103.87 20.11 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.0 mttt 36.02 68.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -129.82 169.49 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.699 ' CB ' HD13 ' A' ' 82' ' ' ILE . 5.1 t80 -113.4 124.95 53.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.1 t -114.54 134.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 96.0 t -126.72 94.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 76' ' ' THR . 1.0 OUTLIER -82.69 121.4 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.434 HG21 HG21 ' A' ' 62' ' ' THR . 10.2 mt -100.72 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.66 -135.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.33 171.71 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 127.46 41.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -115.0 136.27 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.576 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 101.21 50.63 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD12 ' HG2' ' A' ' 46' ' ' PRO . 3.6 mt -103.03 113.46 65.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.67 157.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.659 ' CE ' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.472 0.177 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 12.6 t -146.7 172.01 14.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.456 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -165.15 175.23 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -125.07 70.02 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.585 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.4 Cg_endo -74.94 169.54 22.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.713 ' CB ' HG12 ' A' ' 64' ' ' VAL . 45.9 p90 -163.71 138.53 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 95' ' ' THR . 70.7 mt -92.99 142.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -112.07 130.57 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.596 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.2 tmm? -96.51 149.76 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.1 m -156.08 130.35 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.769 HD11 ' CD2' ' A' ' 79' ' ' PHE . 5.6 mt -89.96 86.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.914 HD21 ' HD2' ' A' ' 56' ' ' LYS . 79.5 mt -83.08 156.46 66.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.66 13.68 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.963 0.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -26.21 -68.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.914 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER 77.7 7.1 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.92 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -46.53 94.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' LYS . 13.1 mtpt -105.22 122.56 46.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.596 HG23 ' HB3' ' A' ' 50' ' ' MET . 7.0 m -135.09 154.69 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -130.56 157.76 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.517 ' HB ' ' CG ' ' A' ' 73' ' ' PHE . 25.4 p -97.08 131.87 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.49 126.81 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.713 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.68 127.46 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.794 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.8 mm? -70.97 170.65 12.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' LYS . 15.6 mmt-85 -111.42 124.32 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 10.7 mttp 40.92 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.23 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 t -175.5 147.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.659 HD11 ' CE ' ' A' ' 42' ' ' MET . 4.9 mt -104.67 -9.52 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -132.14 80.01 65.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.794 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.02 146.43 32.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.779 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.45 93.76 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 19.5 m-85 -79.02 -39.24 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' PHE . 22.5 t0 38.73 30.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.691 ' CG ' ' CE1' ' A' ' 77' ' ' PHE . 3.9 tp10 -96.89 143.4 27.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.484 ' CB ' ' HA ' ' A' ' 27' ' ' ASN . 1.5 t -126.65 141.77 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.691 ' CE1' ' CG ' ' A' ' 75' ' ' GLU . 19.1 m-85 -122.45 124.57 43.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -86.7 166.38 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.769 ' CD2' HD11 ' A' ' 52' ' ' ILE . 51.7 m-85 -158.59 107.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -86.58 144.41 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.36 -41.43 1.68 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.9 mp -51.94 118.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.548 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 16.84 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.443 1.759 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.582 ' H ' HG22 ' A' ' 82' ' ' ILE . 31.9 t80 68.69 -56.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' PRO . 75.8 p -58.28 -15.78 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -91.28 -10.28 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' ILE . 5.0 mm -55.65 -35.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -74.22 -2.47 25.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.92 13.97 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.073 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 81.6 mt -109.49 -167.85 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 176.18 123.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.584 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.4 mt -89.1 128.78 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.743 ' HB2' HD12 ' A' ' 53' ' ' LEU . 33.8 t-80 -111.45 106.12 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD2' HD11 ' A' ' 11' ' ' LEU . 29.2 m-85 -94.74 111.77 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 48' ' ' ILE . 31.7 m -103.54 123.64 47.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.783 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.8 mp -93.4 86.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.439 HD23 HG13 ' A' ' 107' ' ' ILE . 3.2 mp -94.96 -166.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 34.8 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.439 HG13 HD23 ' A' ' 97' ' ' LEU . 30.8 mt -67.24 105.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.72 ' HB ' HG22 ' A' ' 96' ' ' ILE . 16.4 mt -67.09 -39.37 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.406 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -173.0 164.31 36.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -121.64 131.8 54.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG11 HD12 ' A' ' 11' ' ' LEU . 2.9 t -122.16 149.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 tp -141.86 149.22 39.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.7 tp -149.81 98.23 3.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.01 6.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.581 HD11 ' HZ ' ' A' ' 24' ' ' PHE . 15.2 mt -77.51 0.3 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.1 t -64.32 94.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.28 -25.8 7.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.66 139.96 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -122.82 113.77 19.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.53 HD21 ' CB ' ' A' ' 15' ' ' LEU . 28.7 mt -92.55 4.86 52.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.454 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -47.31 -61.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -41.49 -50.22 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 159.04 -138.2 5.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -88.61 125.54 34.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' SER . 19.4 ptp -112.98 152.16 29.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 127' ' ' MET . 0.6 OUTLIER -100.95 134.95 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.801 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.6 mtm -142.61 154.85 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.77 164.7 27.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.516 ' CG ' HD13 ' A' ' 113' ' ' ILE . 1.9 mmt180 -152.82 146.08 24.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -88.28 140.53 29.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.221 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.547 HG22 ' CD1' ' A' ' 8' ' ' LEU . 4.7 mt -97.74 119.34 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.66 -170.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.5 ' HB2' HG22 ' A' ' 131' ' ' ILE . 3.3 mm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 -168.53 18.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.9 m -122.97 161.25 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.455 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' CD1' ' A' ' 48' ' ' ILE . 2.1 tp -124.52 147.05 48.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.755 ' N ' HD12 ' A' ' 11' ' ' LEU . 15.9 m-85 -128.41 137.03 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.475 ' O ' HD13 ' A' ' 126' ' ' LEU . 15.0 p90 -168.79 159.82 9.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.797 ' OG ' HD22 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -137.2 120.87 17.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.65 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.6 OUTLIER -76.61 138.29 40.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -144.43 125.94 14.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 61.5 t80 -102.47 124.23 47.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.852 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 33.2 t-20 -70.34 60.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -42.14 -45.77 4.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.46 -44.59 25.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -114.33 23.6 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASN . 8.5 mttt 37.89 66.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.852 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -135.98 168.94 18.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.629 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 4.1 t80 -111.62 126.01 54.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 76' ' ' THR . 2.1 t -122.05 120.84 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.629 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 65.6 t -110.33 98.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 2.5 t-20 -83.39 111.18 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.535 HG21 HG21 ' A' ' 62' ' ' THR . 45.6 mt -94.52 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -62.58 -137.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.506 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.1 pt-20 -113.83 174.59 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -128.75 139.06 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -131.6 136.4 47.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.94 37.94 2.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 69' ' ' LEU . 6.5 mt -98.87 115.61 65.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.06 164.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.8 mmt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.469 0.176 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.714 HG21 ' HG2' ' A' ' 67' ' ' LYS . 10.2 t -168.0 -179.9 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.515 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.66 176.49 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -120.45 71.25 17.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 179.28 6.24 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 1.019 ' CE2' HD21 ' A' ' 97' ' ' LEU . 55.5 p90 -178.4 144.72 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.844 ' CD1' HD13 ' A' ' 11' ' ' LEU . 6.5 mt -92.11 139.54 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 93' ' ' HIS . 15.1 mttt -106.24 125.08 50.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.798 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.3 ttp -96.27 149.09 22.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 53' ' ' LEU . 25.0 m -159.14 129.85 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' A' ' 58' ' ' HIS . 14.9 mt -88.54 89.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 51' ' ' THR . 3.2 mm? -84.93 156.41 60.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.93 -24.31 11.51 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.006 -0.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.562 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.3 mt-10 -24.92 -64.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HG3' HD11 ' A' ' 53' ' ' LEU . 3.5 tttt 72.26 4.95 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 9.1 tppt? -75.37 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.53 ' HB2' HD12 ' A' ' 52' ' ' ILE . 43.6 m-70 -65.54 74.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LYS . 5.4 ttmt -92.15 123.67 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.798 HG23 ' HB3' ' A' ' 50' ' ' MET . 11.0 m -140.15 148.25 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -129.39 152.87 48.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.535 HG21 HG21 ' A' ' 28' ' ' ILE . 70.0 p -93.52 133.35 36.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -35.99 150.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.665 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -103.93 96.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.5 mt -55.78 154.97 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 67' ' ' LYS . 10.8 mmt85 -98.72 142.68 29.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.714 ' HG2' HG21 ' A' ' 43' ' ' THR . 5.6 mttt 38.14 85.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 68' ' ' THR . 4.8 t -176.56 103.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 mm? -64.5 -30.59 71.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -117.2 81.06 12.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 143.25 28.84 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.42 1.747 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.69 94.78 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.2 m-85 -81.67 -41.4 21.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' PHE . 3.4 t0 39.48 44.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -83.26 177.3 8.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.588 HG23 HG12 ' A' ' 25' ' ' VAL . 13.8 m -154.72 121.88 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 45.6 m-85 -117.59 125.56 51.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.1 m -101.74 156.67 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' THR . 11.3 m-85 -154.5 133.29 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.32 147.17 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.1 -16.63 8.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.775 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.0 mp -77.71 116.39 57.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.536 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.96 21.66 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.536 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 16.3 t80 66.73 -59.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' PRO . 82.0 p -54.86 -18.81 5.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -87.51 -11.56 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.775 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.6 mm -58.05 -41.05 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -67.91 -7.31 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.07 13.04 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 80.0 mt -110.14 -170.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 178.35 123.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' A' ' 15' ' ' LEU . 13.0 mt -90.0 133.56 34.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.424 ' HB2' HD23 ' A' ' 53' ' ' LEU . 83.1 t60 -114.12 109.06 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD2' HD21 ' A' ' 11' ' ' LEU . 31.9 m-85 -99.11 110.62 23.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.723 HG23 ' HG2' ' A' ' 110' ' ' GLU . 56.4 m -107.29 101.08 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.859 HD13 HG12 ' A' ' 131' ' ' ILE . 4.4 mp -79.18 83.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.019 HD21 ' CE2' ' A' ' 47' ' ' TYR . 2.2 pt? -111.56 171.88 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.5 mt -83.28 110.78 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.463 HG23 HD12 ' A' ' 8' ' ' LEU . 29.2 mt -60.0 -47.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.519 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -172.6 173.98 45.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.723 ' HG2' HG23 ' A' ' 95' ' ' THR . 52.4 mt-10 -124.03 156.98 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.5 t -142.64 154.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.19 145.93 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.621 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -144.78 98.77 4.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.8 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.3 -0.81 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -69.6 99.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.72 -27.44 8.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.414 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.8 mm -55.57 147.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HE1' ' A' ' 125' ' ' MET . 21.9 mt-10 -120.76 97.21 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 15' ' ' LEU . 11.7 mt -92.0 -14.34 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLU . 55.3 p -39.34 -64.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 1.5 mt-10 -37.73 -42.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.08 -138.43 6.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -93.11 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.43 ' HE1' ' O ' ' A' ' 119' ' ' GLU . 15.3 ptp -130.08 136.6 49.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.797 HD22 ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -84.95 140.33 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.478 ' CE ' HG12 ' A' ' 113' ' ' ILE . 1.4 mtm -141.72 156.47 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -133.35 157.5 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.51 ' NE ' ' CD1' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -139.71 146.32 39.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.45 141.49 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.859 HG12 HD13 ' A' ' 96' ' ' ILE . 2.6 mp -101.58 116.95 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.76 -172.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.059 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.637 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.2 mm? . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -172.47 -164.37 27.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 11' ' ' LEU . 94.5 m -118.84 170.01 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 0.775 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -141.13 125.65 17.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.968 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.3 m-85 -107.76 139.53 42.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' HE2' HD21 ' A' ' 15' ' ' LEU . 9.5 p90 -165.18 170.59 14.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.698 ' HB3' HD22 ' A' ' 126' ' ' LEU . 4.3 p -147.55 121.1 9.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.592 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -79.78 152.24 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' VAL . 11.8 tt0 -162.3 137.41 7.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 5.6 t30 -79.97 86.29 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.81 -42.74 99.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.24 -47.42 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.2 mtp85 -115.9 24.93 11.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER 36.42 67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.772 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -131.66 172.31 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 7.1 t80 -110.48 150.34 29.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.574 HG12 HG23 ' A' ' 76' ' ' THR . 2.7 t -143.45 126.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 77.9 t -121.45 90.22 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 18.1 t-20 -76.13 120.21 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.628 HD11 ' HG3' ' A' ' 50' ' ' MET . 3.5 mt -102.05 102.58 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -138.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.1 pt-20 -114.63 170.28 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.48 129.86 54.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.6 132.49 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 98.62 44.04 2.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD23 ' CG ' ' A' ' 46' ' ' PRO . 4.9 mp -99.0 121.5 55.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.27 16.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 147.78 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.519 0.2 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -173.37 153.96 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.529 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 p -149.61 176.05 11.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.0 p-10 -119.62 71.51 14.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 163.46 35.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 1.15 ' CE1' HD21 ' A' ' 97' ' ' LEU . 43.8 p90 -157.77 139.22 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.78 138.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -106.32 124.69 49.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.628 ' HG3' HD11 ' A' ' 28' ' ' ILE . 3.7 tmm? -95.81 145.78 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 HD22 ' A' ' 53' ' ' LEU . 87.2 m -155.81 138.99 15.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.591 HG23 ' HG ' ' A' ' 90' ' ' LEU . 4.9 mt -94.27 89.23 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.526 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.7 mm? -83.8 156.5 64.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.92 -25.21 10.44 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.023 -0.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.577 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -23.05 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER 81.47 15.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -80.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -52.73 99.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -112.92 116.25 29.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.444 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.1 m -132.66 155.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 144.95 36.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -90.38 177.6 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.606 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 96.3 mtt180 -64.37 141.76 58.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.734 HG12 ' CB ' ' A' ' 47' ' ' TYR . 2.5 m -88.14 -20.22 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 2.3 mt 59.16 151.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.9 mmt180 -102.46 134.58 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 66' ' ' ARG . 3.6 mttt 42.94 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 68' ' ' THR . 6.8 t -173.27 114.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.07 -20.74 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.5 78.94 73.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.03 143.44 28.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -126.52 96.35 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 63' ' ' ARG . 1.8 m-85 -82.06 -44.23 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.9 t0 40.69 46.37 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 5.9 mm-40 -89.33 -176.48 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.574 HG23 HG12 ' A' ' 25' ' ' VAL . 2.7 m -158.15 126.61 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 61.7 m-85 -115.25 124.3 51.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -98.86 146.23 26.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 20.3 m-85 -144.13 137.55 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.772 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 88.6 m-85 -119.48 139.58 51.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.35 -19.43 5.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.657 HD13 ' HB2' ' A' ' 24' ' ' PHE . 2.7 mp -70.92 122.14 86.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.97 14.94 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.607 ' H ' HG22 ' A' ' 82' ' ' ILE . 19.3 t80 67.04 -57.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.1 p -53.87 -18.54 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.436 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -83.49 -17.15 42.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.596 HG23 HD12 ' A' ' 115' ' ' LEU . 16.9 mm -53.46 -51.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -53.89 -19.13 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -97.63 -21.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.591 ' HG ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -70.36 -171.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 177.04 120.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.597 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -81.51 127.78 33.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.512 ' HB2' HD23 ' A' ' 53' ' ' LEU . 24.5 t-80 -111.44 105.29 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' VAL . 35.2 m-85 -98.27 111.84 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -101.31 106.7 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.3 mp -80.82 81.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.15 HD21 ' CE1' ' A' ' 47' ' ' TYR . 1.7 pt? -115.96 170.02 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 1.4 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.511 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.1 mt -81.41 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 8' ' ' LEU . 12.1 mt -98.2 -39.19 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.51 168.51 40.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -120.07 154.46 34.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -138.88 148.07 24.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.7 148.17 40.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.3 tp -148.4 96.64 3.88 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 120.93 6.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.597 HD21 ' CD2' ' A' ' 92' ' ' LEU . 21.4 mt -71.92 -4.8 30.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -58.47 105.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.05 -33.4 6.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.482 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.7 mm -61.95 137.45 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 7.6 pt-20 -116.46 113.23 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.614 HD23 ' HE3' ' A' ' 125' ' ' MET . 66.7 mt -93.11 -14.8 26.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.61 -53.87 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -50.4 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 160.07 -142.19 8.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -91.9 119.46 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.614 ' HE3' HD23 ' A' ' 120' ' ' LEU . 15.0 ptp -111.63 139.47 47.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -91.89 140.02 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.767 ' N ' HD13 ' A' ' 126' ' ' LEU . 8.3 mtm -144.77 151.4 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -131.19 144.63 51.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.407 ' CG ' HD13 ' A' ' 113' ' ' ILE . 4.6 mmt180 -130.5 146.98 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -92.99 138.57 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.637 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.3 mt -95.48 118.09 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -130.23 -172.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.668 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.1 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -174.42 -166.02 31.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -113.9 164.11 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.996 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -137.06 125.19 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.996 ' N ' HD22 ' A' ' 11' ' ' LEU . 7.4 m-85 -105.87 139.16 40.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.473 ' O ' HD13 ' A' ' 126' ' ' LEU . 9.1 p90 -166.45 162.84 17.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.599 ' HB3' HD22 ' A' ' 126' ' ' LEU . 15.3 p -136.53 151.21 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.812 HD21 ' CD1' ' A' ' 92' ' ' LEU . 6.0 mt -112.82 152.89 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.99 125.15 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 11.7 t80 -99.16 144.34 28.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.777 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 63.9 t-20 -96.81 60.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 16.1 m-85 -35.8 -48.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -43.62 -53.46 5.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.4 mtp85 -110.31 24.27 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASN . 5.3 mttt 36.23 67.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.777 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.96 165.79 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.787 ' HE2' HD21 ' A' ' 92' ' ' LEU . 6.9 t80 -115.18 132.1 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 76' ' ' THR . 4.0 t -119.28 106.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 89.3 t -101.52 93.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.7 t-20 -81.67 130.13 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.72 HG21 HG21 ' A' ' 62' ' ' THR . 49.9 mt -109.92 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.61 -139.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.8 pt-20 -113.57 169.69 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.88 141.14 52.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -130.82 141.61 50.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.627 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 91.29 45.45 4.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.665 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.7 mt -97.87 122.18 55.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.88 15.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.03 152.09 24.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.404 ' HG3' ' CB ' ' A' ' 98' ' ' SER . 9.7 mmt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.476 0.179 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.886 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.9 t -150.85 171.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.449 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.3 p -164.98 175.36 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 56.2 m-20 -122.33 73.01 38.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.4 Cg_endo -74.99 162.81 36.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.735 ' CB ' HG12 ' A' ' 64' ' ' VAL . 33.4 p90 -159.01 142.79 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 95' ' ' THR . 23.7 mt -93.11 157.68 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 47' ' ' TYR . 2.7 mtpm? -128.93 127.36 41.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.586 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.3 tmm? -99.81 149.72 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.414 ' N ' ' SD ' ' A' ' 50' ' ' MET . 99.9 m -155.21 134.78 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.483 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.2 mt -91.62 94.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.4 mm? -87.12 156.95 54.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -25.35 10.34 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.979 0.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.591 ' C ' ' O ' ' A' ' 54' ' ' PRO . 25.1 mt-10 -21.97 -66.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 71.77 6.41 5.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -74.16 -63.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 11.7 m-70 -68.36 97.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.654 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -109.32 122.42 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 50' ' ' MET . 16.0 m -135.17 148.81 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.07 152.94 48.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.72 HG21 HG21 ' A' ' 28' ' ' ILE . 38.2 p -90.65 138.59 31.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.2 126.15 17.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.735 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -72.32 134.58 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.864 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -81.23 165.59 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -109.67 126.84 54.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.886 ' HG2' HG21 ' A' ' 43' ' ' THR . 15.7 mttt 45.54 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -176.15 135.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -93.0 -5.45 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.74 88.35 16.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.864 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 141.13 26.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.499 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.97 88.92 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 8.4 m-85 -79.3 -42.4 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.5 t70 38.39 43.53 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 6.2 mm-40 -89.89 177.71 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 HG12 ' A' ' 25' ' ' VAL . 10.8 m -154.75 132.24 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 95.5 m-85 -122.46 119.85 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -97.32 138.39 34.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 52' ' ' ILE . 23.3 m-85 -133.92 116.11 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -91.29 168.39 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.09 -46.61 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.436 ' CG2' HD21 ' A' ' 90' ' ' LEU . 6.5 mt -52.0 113.98 4.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.94 138.35 23.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.489 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 30.2 t80 -45.13 -48.08 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.5 p -54.8 -25.45 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.544 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -79.79 -14.47 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 6.9 mm -63.88 -56.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -54.06 -18.63 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.61 -26.29 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -65.63 -169.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 178.17 135.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.812 ' CD1' HD21 ' A' ' 15' ' ' LEU . 15.9 mt -99.21 140.26 33.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -123.64 105.52 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 111' ' ' VAL . 26.0 m-85 -94.59 118.84 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 97' ' ' LEU . 21.7 m -115.79 117.42 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.8 mp -86.22 100.16 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.639 ' CD2' HG22 ' A' ' 95' ' ' THR . 0.6 OUTLIER -92.41 -171.11 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.641 ' OG ' HD11 ' A' ' 108' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.58 HG23 HG22 ' A' ' 95' ' ' THR . 56.3 mt -64.74 96.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' OG ' ' A' ' 98' ' ' SER . 97.1 mt -55.93 -37.6 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.63 177.91 40.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -131.96 145.92 51.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -144.54 143.47 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.3 tp -140.82 147.39 38.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 113' ' ' ILE . 0.6 OUTLIER -145.47 99.63 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.71 5.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 48.9 mt -66.3 -9.1 29.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.9 t -60.27 104.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.82 -41.05 2.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -58.59 149.59 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.511 ' O ' ' CE ' ' A' ' 125' ' ' MET . 10.0 mm-40 -125.64 128.24 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 15' ' ' LEU . 84.2 mt -112.37 5.39 18.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -56.14 -48.46 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.22 -56.4 18.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.92 -142.81 7.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 10.2 tttt -85.33 133.9 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.511 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 17.2 ptp -124.68 142.67 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -92.5 137.44 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.7 mtm -142.53 149.98 39.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -134.75 143.77 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.515 ' HG3' HD13 ' A' ' 113' ' ' ILE . 23.2 mmt-85 -132.12 146.72 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -89.53 140.63 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.668 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.3 mt -96.59 123.07 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.78 -172.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.8 mm? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' ILE . . . -164.14 -173.27 32.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -115.9 160.59 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 12' ' ' PHE . 5.8 tp -122.95 136.43 54.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.674 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.2 m-85 -120.02 137.38 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -169.17 168.51 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.561 ' HB3' HD22 ' A' ' 126' ' ' LEU . 83.5 p -132.98 161.32 34.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mt -126.63 136.04 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -154.83 126.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 68.3 t80 -101.14 127.01 47.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 45.7 t-20 -71.18 94.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.6 m-85 -68.69 -36.03 77.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -49.24 76.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.4 mtp180 -109.87 21.64 16.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 37.01 69.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.1 178.41 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.0 t80 -121.66 135.36 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG12 HG23 ' A' ' 76' ' ' THR . 5.5 t -123.55 111.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 48.9 t -107.51 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.08 128.1 33.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.593 HG21 HG21 ' A' ' 62' ' ' THR . 27.3 mt -109.62 101.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.75 -135.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -113.05 177.53 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.35 127.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -118.28 130.18 55.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.837 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 107.1 48.16 0.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.837 HD23 ' C ' ' A' ' 33' ' ' GLY . 1.6 mt -107.77 113.72 61.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.95 12.85 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.42 158.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.42 ' CE ' HG12 ' A' ' 108' ' ' ILE . 12.7 mmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.423 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.512 0.196 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.597 ' HA ' HD21 ' A' ' 69' ' ' LEU . 7.5 t -176.31 177.94 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.559 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 7.9 p -164.73 177.85 7.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.12 68.42 17.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.1 Cg_endo -75.03 153.7 41.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 24.7 p90 -157.54 139.18 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.567 ' CD1' HD13 ' A' ' 11' ' ' LEU . 61.7 mt -90.33 143.58 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.476 ' HD2' HD13 ' A' ' 97' ' ' LEU . 14.4 mttt -110.68 128.09 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.67 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.6 ttp -96.09 146.38 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.63 HG22 ' HA ' ' A' ' 56' ' ' LYS . 91.2 m -156.1 124.1 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 58' ' ' HIS . 21.1 mt -82.19 90.05 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.71 156.86 67.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.558 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.0 Cg_endo -75.03 -23.75 12.26 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.995 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.4 mt-10 -25.81 -61.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.63 ' HA ' HG22 ' A' ' 51' ' ' THR . 0.4 OUTLIER 67.87 8.99 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -79.17 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' HB2' HD12 ' A' ' 52' ' ' ILE . 17.2 m-70 -61.79 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 51' ' ' THR . 3.6 mttt -94.71 126.13 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.8 m -146.17 140.92 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -124.1 154.34 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.593 HG21 HG21 ' A' ' 28' ' ' ILE . 7.5 p -87.14 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -42.98 110.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.3 p -68.76 100.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.54 156.71 22.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -105.4 137.2 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.6 mtpt 45.78 86.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 13.8 t -177.79 105.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 43' ' ' THR . 2.5 mm? -66.53 -26.46 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.98 77.66 31.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.01 137.72 22.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.804 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.68 93.81 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.4 m-85 -81.56 -43.02 19.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 42.57 45.43 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -88.63 174.51 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.44 HG23 HG12 ' A' ' 25' ' ' VAL . 4.3 m -158.68 130.58 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -119.93 129.77 54.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 m -105.39 141.06 37.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -138.33 128.41 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -99.24 155.77 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.06 -62.34 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.578 HG21 HD11 ' A' ' 90' ' ' LEU . 4.3 mt -41.98 113.72 1.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.35 21.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 37.8 t80 -51.84 -19.0 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 p -80.59 -19.66 45.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.403 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 3.0 tt0 -90.42 -14.44 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.3 mm -52.83 -41.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.03 -7.07 19.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -113.12 16.17 19.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 82' ' ' ILE . 71.9 mt -112.78 -176.93 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 179.22 124.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.722 HD21 HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -88.09 130.69 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.526 ' HB2' HD23 ' A' ' 53' ' ' LEU . 26.9 t-80 -111.49 104.47 12.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -96.48 108.83 21.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 97' ' ' LEU . 65.3 m -101.75 121.84 42.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.775 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.3 mp -85.87 89.18 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 95' ' ' THR . 4.3 mp -95.33 -166.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 32.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.5 mt -66.26 107.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.59 ' HB ' HG22 ' A' ' 96' ' ' ILE . 7.7 mt -74.96 -37.49 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.447 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -169.16 -179.67 41.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.63 138.4 47.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.572 HG11 HD23 ' A' ' 11' ' ' LEU . 10.8 t -131.96 150.74 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -148.64 143.5 26.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.661 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.7 tp -140.39 98.13 7.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.722 HD11 HD21 ' A' ' 92' ' ' LEU . 27.5 mt -87.5 15.15 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.55 54.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.5 -27.2 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.59 HD12 ' SD ' ' A' ' 125' ' ' MET . 6.7 mm -54.51 164.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.573 ' C ' HD13 ' A' ' 120' ' ' LEU . 10.2 mt-10 -147.56 102.71 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -104.38 41.93 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.58 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 99.8 p -64.94 69.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 120' ' ' LEU . 6.9 mt-10 65.53 9.14 5.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -117.49 115.96 3.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -83.27 120.37 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.59 ' SD ' HD12 ' A' ' 118' ' ' ILE . 18.5 ptp -112.84 143.04 44.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -92.03 140.29 29.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.714 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.1 mtm -141.83 155.87 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -135.73 166.24 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 -148.45 146.75 28.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -94.48 138.93 31.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.447 HG23 ' HA3' ' A' ' 109' ' ' GLY . 4.2 mt -100.6 118.75 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -128.0 -172.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.796 HD22 HG23 ' A' ' 108' ' ' ILE . 46.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.442 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -159.98 -168.11 21.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -124.18 162.95 22.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 12' ' ' PHE . 4.7 tp -124.65 139.36 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.716 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.7 m-85 -123.17 141.89 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' HD13 ' A' ' 126' ' ' LEU . 8.3 p90 -171.2 156.7 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' 125' ' ' MET . 0.2 OUTLIER -129.87 130.08 44.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.912 HD21 HD11 ' A' ' 92' ' ' LEU . 4.0 mt -90.94 144.79 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -152.97 139.38 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 50.7 t80 -117.96 126.72 52.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.576 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 13.1 t-20 -73.87 58.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 28.1 m-85 -35.81 -47.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -47.81 -48.16 30.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASN . 13.1 mtp180 -110.86 21.46 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER 36.25 71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.967 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -137.07 155.38 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 2.9 t80 -99.35 128.07 45.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.492 ' CG1' HG23 ' A' ' 76' ' ' THR . 15.1 t -124.46 112.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 59.9 t -109.02 94.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -79.31 131.35 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' LYS . 66.1 mt -107.43 101.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.79 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.507 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.2 pt-20 -114.1 172.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -125.54 137.48 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.92 133.8 46.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.678 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 105.21 41.75 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 33' ' ' GLY . 2.3 mt -101.06 114.53 65.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 127.41 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.38 144.57 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.523 0.201 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.682 ' HA ' HD21 ' A' ' 69' ' ' LEU . 3.3 t -163.57 179.55 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.47 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 15.1 m -163.99 175.34 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -120.73 73.49 23.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.97 166.53 29.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.944 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 15.1 p90 -162.82 139.62 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.621 ' CD1' HD13 ' A' ' 11' ' ' LEU . 9.7 mt -91.78 135.48 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 93' ' ' HIS . 14.1 mttt -106.44 124.95 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.496 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.1 tmm? -96.24 150.08 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' HG3' ' A' ' 56' ' ' LYS . 86.5 m -156.28 129.23 7.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.552 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.4 mt -86.44 90.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.77 157.11 67.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.56 13.8 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.536 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -28.0 -67.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.619 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER 75.14 3.91 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 10.4 mmtt -70.25 -85.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 2.7 m-70 -50.99 93.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' LYS . 3.8 mtpt -105.93 126.19 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 50' ' ' MET . 9.4 m -131.7 147.84 32.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 155.17 46.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -88.37 160.51 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -58.07 127.2 30.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 64' ' ' VAL . 10.9 t -76.99 92.1 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 1.6 mt -62.58 163.13 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -116.14 133.13 56.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 0.3 OUTLIER 48.27 84.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 68' ' ' THR . 5.8 t -176.64 104.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 43' ' ' THR . 2.2 mm? -67.09 -29.78 69.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -117.04 80.77 11.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CB ' HD13 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.99 141.23 26.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.507 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.42 93.69 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' ASP . 2.4 m-85 -81.18 -44.58 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER 37.78 44.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.32 178.9 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.492 HG23 ' CG1' ' A' ' 25' ' ' VAL . 18.5 m -143.34 149.81 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -140.85 139.58 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.596 HG22 ' CD2' ' A' ' 80' ' ' TYR . 8.8 m -124.6 127.78 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.552 ' CD2' HD11 ' A' ' 52' ' ' ILE . 73.0 m-85 -112.05 -12.45 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.967 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 22.6 m-85 44.43 -171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 82' ' ' ILE . . . 71.67 -55.85 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.909 HD12 ' O ' ' A' ' 80' ' ' TYR . 3.5 mp -33.08 113.39 0.39 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.565 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.03 18.81 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.596 ' H ' HG22 ' A' ' 82' ' ' ILE . 32.1 t80 68.31 -57.04 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.5 p -55.82 -17.35 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.06 -4.01 56.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.738 ' CD1' HG21 ' A' ' 82' ' ' ILE . 5.3 mm -63.38 -52.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.7 -37.76 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -73.48 -30.95 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -64.43 -170.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 175.29 120.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.912 HD11 HD21 ' A' ' 15' ' ' LEU . 10.8 mt -84.42 145.85 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.411 ' HB2' HD23 ' A' ' 53' ' ' LEU . 84.4 t60 -128.08 104.44 7.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.711 ' CD2' HD21 ' A' ' 11' ' ' LEU . 24.0 m-85 -94.78 119.53 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.7 m -115.71 100.16 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.829 HD13 HG12 ' A' ' 131' ' ' ILE . 4.5 mp -78.38 83.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.944 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.7 pt? -115.44 170.58 8.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.523 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 23.9 mt -79.62 137.16 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.796 HG23 HD22 ' A' ' 8' ' ' LEU . 8.1 mt -91.1 -40.62 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.82 169.62 42.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -121.98 144.96 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.548 HG11 HD23 ' A' ' 11' ' ' LEU . 6.6 t -134.37 153.29 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.6 tp -149.39 139.21 21.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.616 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.5 OUTLIER -136.98 99.57 10.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 87' ' ' ILE . 15.7 mt -74.25 -1.8 22.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.5 t -62.17 95.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.89 -32.09 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -52.77 131.76 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 8.1 pt-20 -119.49 114.03 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' GLY . 1.6 mt -100.64 2.07 41.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 p -40.34 -34.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.22 -47.43 57.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 156.17 -137.73 5.65 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -88.74 125.79 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.413 ' C ' ' HG ' ' A' ' 14' ' ' SER . 14.9 ptp -118.3 138.55 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -84.2 139.25 32.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.2 mtm -141.75 154.82 45.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.52 161.56 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.413 ' CG ' ' CD1' ' A' ' 113' ' ' ILE . 0.0 OUTLIER -148.47 146.63 28.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.04 146.55 24.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.829 HG12 HD13 ' A' ' 96' ' ' ILE . 5.3 mt -104.33 123.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.529 ' HA ' HD12 ' A' ' 8' ' ' LEU . 2.0 pp -137.1 -171.35 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.597 HD13 ' HA3' ' A' ' 109' ' ' GLY . 6.9 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.47 167.44 11.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.525 HG22 ' CE1' ' A' ' 12' ' ' PHE . 6.3 m -113.5 143.28 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 94' ' ' PHE . 8.9 tp -105.85 140.69 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.668 ' H ' HD12 ' A' ' 11' ' ' LEU . 20.2 m-85 -120.52 137.99 54.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' O ' HD13 ' A' ' 126' ' ' LEU . 7.0 p90 -167.5 168.67 12.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.944 ' HB3' HD22 ' A' ' 126' ' ' LEU . 54.7 p -143.89 118.99 10.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.44 147.86 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -159.09 121.83 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 65.9 t80 -100.94 121.19 41.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.488 ' CB ' ' HB3' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -68.66 86.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.74 -49.21 75.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.56 -60.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.8 mtp85 -99.71 22.58 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.6 mttt 35.83 67.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 18' ' ' ASN . . . -128.8 171.5 12.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.671 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.3 t80 -118.5 118.91 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.404 HG12 HG23 ' A' ' 76' ' ' THR . 3.1 t -110.16 129.72 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.716 HG21 HD21 ' A' ' 92' ' ' LEU . 94.5 t -119.91 91.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 7.1 t-20 -77.91 122.35 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.585 HD11 ' HG3' ' A' ' 50' ' ' MET . 6.8 mt -104.22 101.78 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.67 -139.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.508 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -113.67 177.37 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.07 133.55 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 137.19 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.579 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 84.59 70.61 1.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.579 HD23 ' C ' ' A' ' 33' ' ' GLY . 10.1 mt -113.07 126.68 27.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.09 9.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.66 141.47 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.5 tpt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.439 0.161 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.647 HG21 ' HB3' ' A' ' 67' ' ' LYS . 12.8 t -169.08 169.78 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.544 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.9 p -165.68 177.31 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -116.72 73.64 6.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 136.85 20.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CB ' HG12 ' A' ' 64' ' ' VAL . 43.1 p90 -135.8 140.33 44.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.727 ' CD1' HD13 ' A' ' 11' ' ' LEU . 9.8 mt -91.85 131.23 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -103.47 119.66 39.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.585 ' HG3' HD11 ' A' ' 28' ' ' ILE . 4.4 tmm? -96.71 149.07 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.606 HG21 ' HG3' ' A' ' 56' ' ' LYS . 82.6 m -156.28 128.77 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 79' ' ' PHE . 2.6 mt -80.72 91.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.735 HD12 ' HB2' ' A' ' 93' ' ' HIS . 28.6 mt -87.34 158.43 52.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -19.83 17.17 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.987 -0.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -27.45 -66.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.606 ' HG3' HG21 ' A' ' 51' ' ' THR . 28.0 tttt 77.78 0.89 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -68.22 -85.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -51.05 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.601 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HG2' HG23 ' A' ' 51' ' ' THR . 9.6 mtpm? -104.33 118.12 35.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 50' ' ' MET . 16.2 m -130.55 148.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -128.51 149.97 50.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.404 HG21 HG21 ' A' ' 28' ' ' ILE . 33.2 p -89.09 133.12 34.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.18 124.97 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.704 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.75 129.71 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 71' ' ' PRO . 3.9 mm? -71.79 174.21 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -115.42 100.83 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.647 ' HB3' HG21 ' A' ' 43' ' ' THR . 24.9 mttt 57.43 98.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 1.4 t 175.84 114.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.74 -1.66 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -140.36 71.74 32.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.757 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.96 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -161.23 98.42 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.84 -45.54 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.33 43.28 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.5 mt-10 -85.73 176.49 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.404 HG23 HG12 ' A' ' 25' ' ' VAL . 10.9 m -153.25 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -115.46 138.19 51.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 2.1 m -111.6 153.81 25.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 52' ' ' ILE . 45.4 m-85 -151.89 102.58 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -80.09 153.6 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.53 -60.09 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.515 HG21 HD11 ' A' ' 90' ' ' LEU . 4.1 mt -43.1 112.04 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.85 21.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 27.8 t80 -51.61 -19.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.4 p -79.21 -19.07 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -91.14 -15.57 29.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.8 mm -52.17 -41.65 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -66.06 -9.55 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -110.19 10.66 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.515 HD11 HG21 ' A' ' 82' ' ' ILE . 61.9 mt -108.92 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 178.09 126.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.716 HD21 HG21 ' A' ' 26' ' ' VAL . 10.4 mt -87.17 121.79 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.735 ' HB2' HD12 ' A' ' 53' ' ' LEU . 10.1 t-80 -98.22 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.075 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 1.057 ' CB ' HG13 ' A' ' 111' ' ' VAL . 12.1 m-85 -91.04 132.12 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.679 HG23 ' CG ' ' A' ' 110' ' ' GLU . 9.4 m -135.18 116.09 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.3 mp -92.82 95.97 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 95' ' ' THR . 2.7 mp -99.31 -164.66 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.37 109.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.602 ' HB ' HG22 ' A' ' 96' ' ' ILE . 88.6 mt -74.73 -45.39 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.597 ' HA3' HD13 ' A' ' 8' ' ' LEU . . . -159.93 -167.36 20.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.679 ' CG ' HG23 ' A' ' 95' ' ' THR . 3.7 mt-10 -157.15 154.55 29.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.057 HG13 ' CB ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -155.51 153.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 113' ' ' ILE . 10.6 tp -141.17 153.24 45.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.702 HG23 ' O ' ' A' ' 113' ' ' ILE . 3.9 tp -145.81 95.32 4.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.89 11.24 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.62 57.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.56 -23.98 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.564 1.165 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.04 137.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 6.6 pt-20 -122.18 115.37 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -108.52 8.57 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -25.49 48.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.28 -67.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . -179.08 156.78 19.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' GLY . 1.4 ttpt -39.75 125.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.443 ' HE1' ' O ' ' A' ' 119' ' ' GLU . 10.3 ptp -119.49 135.25 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -75.56 143.98 42.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.625 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.5 OUTLIER -143.05 149.38 38.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.27 133.94 37.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.573 ' CG ' HD13 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -124.06 155.29 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 3.8 pt-20 -98.2 126.55 43.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 96' ' ' ILE . 3.5 mt -77.6 125.76 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 110' ' ' GLU . 2.1 pp -141.77 -172.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.516 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.5 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.59 -169.34 26.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 11' ' ' LEU . 91.4 m -118.3 169.91 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 0.765 . . . . 0.0 110.358 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD23 HG11 ' A' ' 111' ' ' VAL . 5.9 tp -132.13 144.65 50.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.621 ' H ' HD12 ' A' ' 11' ' ' LEU . 17.1 m-85 -127.82 135.74 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 127' ' ' MET . 4.7 p90 -161.54 169.34 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.404 ' HB3' ' HG ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -146.72 117.77 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 92' ' ' LEU . 3.0 mt -81.73 147.28 29.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -155.93 113.29 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -92.02 132.67 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.527 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 27.0 t30 -81.13 98.19 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.07 -33.03 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.19 -46.12 91.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.9 mtp85 -113.75 22.59 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.8 mptt 36.02 69.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.9 178.28 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.605 ' HZ ' HD22 ' A' ' 15' ' ' LEU . 3.9 t80 -128.82 119.23 24.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.61 ' CG1' HG23 ' A' ' 76' ' ' THR . 4.4 t -108.06 112.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.57 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 66.1 t -104.26 90.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -77.56 138.51 39.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' LYS . 22.1 mt -117.13 99.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.4 ttpt -61.67 -138.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.0 pt-20 -113.02 168.9 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -123.06 144.27 49.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.36 130.98 41.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.78 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 108.16 48.53 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 33' ' ' GLY . 3.1 mt -108.17 113.13 60.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 131.8 14.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.9 161.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.519 0.2 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.718 HG21 ' HG2' ' A' ' 67' ' ' LYS . 10.8 t -159.02 164.52 35.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.486 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.7 m -164.77 175.81 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.8 p30 -125.82 67.27 59.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.62 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.0 160.67 39.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.779 ' CB ' HG12 ' A' ' 64' ' ' VAL . 24.4 p90 -156.07 141.93 18.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.59 ' CD1' HD13 ' A' ' 11' ' ' LEU . 36.2 mt -91.39 144.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 2.2 mttm -114.16 128.47 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.644 ' SD ' HD22 ' A' ' 92' ' ' LEU . 3.5 tmm? -96.48 150.5 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.535 HG22 HD22 ' A' ' 53' ' ' LEU . 32.5 m -157.96 129.7 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.384 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.486 HG23 ' HG ' ' A' ' 90' ' ' LEU . 3.1 mt -87.02 89.54 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.535 HD22 HG22 ' A' ' 51' ' ' THR . 3.3 mm? -84.65 156.08 61.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -26.59 9.11 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.018 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.575 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -22.35 -70.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.418 ' HG3' HG21 ' A' ' 51' ' ' THR . 4.2 tttt 79.55 5.97 2.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.3 mmtt -71.01 -81.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -55.65 88.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LYS . 25.4 mtpt -101.07 117.46 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.8 m -131.31 146.79 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -127.98 166.2 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 p -107.0 136.82 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.96 135.47 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.779 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -83.33 129.14 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.858 HD23 ' CB ' ' A' ' 71' ' ' PRO . 4.0 mm? -67.86 172.64 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -115.93 123.93 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.718 ' HG2' HG21 ' A' ' 43' ' ' THR . 17.5 mttt 46.14 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 43' ' ' THR . 1.8 t -173.07 153.29 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.78 -23.65 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.78 85.96 45.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.858 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.06 142.14 27.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -123.88 90.84 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 5.7 m-85 -79.39 -42.5 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.1 t0 38.59 43.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -176.12 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.61 HG23 ' CG1' ' A' ' 25' ' ' VAL . 2.9 m -158.57 126.84 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -123.86 115.62 21.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -88.01 156.81 19.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 82' ' ' ILE . 36.0 m-85 -151.42 112.48 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -93.46 153.11 18.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.58 -39.53 2.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.699 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.4 mp -51.48 114.61 5.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.98 21.17 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.529 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 22.3 t80 65.97 -57.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . 58.9 p -54.92 -18.6 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.05 -8.97 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.699 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.6 mm -61.08 -52.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -49.93 -33.1 16.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.05 -28.29 43.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -66.78 -171.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 174.47 118.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.83 ' CD1' HD21 ' A' ' 15' ' ' LEU . 9.9 mt -83.39 141.6 31.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.45 ' HB2' HD23 ' A' ' 53' ' ' LEU . 84.2 t60 -122.55 105.34 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.642 ' CD2' HD21 ' A' ' 11' ' ' LEU . 27.5 m-85 -96.16 107.7 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -101.54 108.43 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.5 mp -80.02 85.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.687 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -120.71 167.22 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 46.6 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.495 HG12 ' CB ' ' A' ' 97' ' ' LEU . 16.6 mt -79.05 147.16 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mt -103.49 -45.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.402 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -164.93 173.82 40.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -127.55 150.05 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.693 HG11 HD23 ' A' ' 11' ' ' LEU . 2.5 t -138.52 146.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 tp -141.33 138.8 33.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.694 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -133.9 95.67 17.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.2 5.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.21 2.73 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.8 t -61.56 85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.94 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 127.38 -32.82 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -53.29 137.41 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 5.9 pt-20 -124.61 110.73 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -104.19 19.44 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.8 m -66.3 -42.75 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -65.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.88 -146.17 4.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.35 138.05 32.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 125' ' ' MET . 9.3 ptp -133.89 129.84 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 127' ' ' MET . 0.4 OUTLIER -88.51 158.53 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mtm -154.93 160.71 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.73 160.98 36.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.01 148.11 33.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.63 144.98 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.576 HG12 HD13 ' A' ' 96' ' ' ILE . 3.3 mt -105.24 114.57 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -127.5 -172.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.851 HD22 HG23 ' A' ' 108' ' ' ILE . 91.0 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . -173.71 -169.29 35.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.4 HG22 ' CE1' ' A' ' 12' ' ' PHE . 4.7 m -126.64 161.22 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 12' ' ' PHE . 10.2 tp -119.56 143.07 47.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.659 ' H ' HD12 ' A' ' 11' ' ' LEU . 16.6 m-85 -126.89 141.13 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.7 p90 -170.33 171.28 6.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.39 117.35 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.754 HD23 HG22 ' A' ' 26' ' ' VAL . 2.5 mt -79.97 141.3 36.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -151.6 118.3 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 66.8 t80 -98.93 130.82 45.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.661 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 23.7 t-20 -81.18 89.46 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 2.0 m-85 -60.89 -46.36 90.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 -49.97 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.4 mtp180 -109.63 23.15 14.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.3 mttt 35.01 69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -133.56 171.12 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.668 ' CZ ' HD11 ' A' ' 115' ' ' LEU . 8.4 t80 -120.93 126.09 49.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.766 HG12 HG23 ' A' ' 76' ' ' THR . 2.4 t -119.77 114.84 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.754 HG22 HD23 ' A' ' 15' ' ' LEU . 72.4 t -108.59 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.1 t-20 -78.92 126.78 31.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' LYS . 7.8 mt -103.4 103.01 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.82 -138.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 11.7 pt-20 -116.03 171.62 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.26 141.78 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.11 139.86 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.678 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 83.54 70.74 1.34 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 33' ' ' GLY . 10.4 mt -119.01 118.27 33.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.59 10.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.97 158.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.473 ' CE ' HG13 ' A' ' 108' ' ' ILE . 7.8 mmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.533 0.206 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 67' ' ' LYS . 14.6 t -174.74 152.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.528 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -142.55 178.07 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -116.76 74.4 6.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.04 143.85 29.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.956 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 10.5 p90 -148.04 139.77 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.606 ' CD1' HD13 ' A' ' 11' ' ' LEU . 12.0 mt -92.06 136.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 24.9 mttt -101.96 125.32 48.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.626 ' HB3' HG23 ' A' ' 60' ' ' VAL . 1.9 ttp -96.85 142.93 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 56' ' ' LYS . 34.5 m -154.84 132.55 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.82 HD12 ' HB2' ' A' ' 58' ' ' HIS . 80.9 mt -90.19 104.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.2 mm? -90.55 156.11 45.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.672 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -74.96 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.672 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -8.64 -70.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 51' ' ' THR . 5.7 tttt 91.0 -5.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -57.53 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.82 ' HB2' HD12 ' A' ' 52' ' ' ILE . 8.3 m-70 -39.69 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 14.1 mtpt -119.55 121.62 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.626 HG23 ' HB3' ' A' ' 50' ' ' MET . 11.7 m -131.04 152.86 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -132.32 168.0 18.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -85.63 177.48 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' VAL . 1.9 ttt-85 -72.66 0.23 11.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 47' ' ' TYR . 46.2 t 52.44 100.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.3 mm? -62.18 161.11 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -114.58 105.25 12.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 68' ' ' THR . 55.4 mttt 58.84 107.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.65 113.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.6 -5.43 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -142.6 69.57 20.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.796 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 165.13 31.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -139.22 104.07 4.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -84.94 -49.46 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 43.27 42.03 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -88.75 171.33 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.766 HG23 HG12 ' A' ' 25' ' ' VAL . 4.3 m -146.39 133.48 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -125.58 121.88 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 m -97.92 152.14 19.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -144.4 134.16 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 78.8 m-85 -114.84 155.6 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.48 -9.58 45.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.56 1.163 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 87' ' ' ILE . 4.8 mt -80.32 118.61 73.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 16.77 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.638 ' H ' HG22 ' A' ' 82' ' ' ILE . 16.2 t80 66.87 -59.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' PRO . 73.7 p -54.32 -18.01 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.455 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.58 -18.65 34.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' ILE . 12.8 mm -51.03 -43.16 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -63.49 -11.04 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -108.0 9.46 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.433 HD12 HD13 ' A' ' 87' ' ' ILE . 78.5 mt -110.46 -173.62 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . . . 179.84 149.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.626 ' CD1' HD21 ' A' ' 15' ' ' LEU . 12.5 mt -113.84 141.28 47.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -118.41 106.15 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.565 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CD2' HD21 ' A' ' 11' ' ' LEU . 24.8 m-85 -94.93 100.63 12.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.562 HG23 ' HG3' ' A' ' 110' ' ' GLU . 96.2 m -100.1 107.46 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.7 HD13 HG12 ' A' ' 131' ' ' ILE . 3.8 mp -82.14 84.12 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.956 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -117.24 171.35 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.451 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 32.2 mt -83.46 138.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.851 HG23 HD22 ' A' ' 8' ' ' LEU . 5.8 mt -97.81 -47.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.404 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -163.66 176.77 39.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 95' ' ' THR . 2.0 mp0 -132.16 146.43 52.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -137.26 152.97 28.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.0 tp -145.81 143.43 29.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -139.68 97.79 8.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 131.7 14.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 33.3 mt -87.99 18.03 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.1 t -72.55 58.4 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 149.23 -24.47 1.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 120' ' ' LEU . 2.3 mm -50.87 135.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.6 100.86 6.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.457 HD11 ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -91.06 3.08 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 8.7 t -62.64 -47.08 85.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.81 -55.62 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 167.61 156.2 9.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 113.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.7 ptp -101.54 150.44 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.699 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -98.31 137.29 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.699 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.7 mtm -142.35 152.98 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -134.08 166.59 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -151.18 146.4 26.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -89.31 139.06 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.7 HG12 HD13 ' A' ' 96' ' ' ILE . 5.6 mt -98.98 120.03 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.11 -172.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 108' ' ' ILE . 36.9 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.478 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -165.96 -163.37 19.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.44 ' N ' HD12 ' A' ' 131' ' ' ILE . 74.0 m -126.39 162.64 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.975 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -130.5 122.39 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.975 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.7 m-85 -106.85 138.86 42.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' O ' HD13 ' A' ' 126' ' ' LEU . 11.0 p90 -167.13 169.21 12.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.737 ' HB3' HD22 ' A' ' 126' ' ' LEU . 80.9 p -144.94 130.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -88.04 148.54 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -159.45 123.98 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 57.7 t80 -104.13 133.37 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.794 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 47.7 t-20 -81.85 75.07 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 3.2 m-85 -48.34 -51.16 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.1 mtp180 -101.26 24.39 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.7 mttt 34.68 71.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.794 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -139.38 175.04 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CB ' HD13 ' A' ' 82' ' ' ILE . 10.0 t80 -121.15 145.15 48.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.71 ' CG1' HG23 ' A' ' 76' ' ' THR . 6.7 t -135.58 120.64 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.613 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 73.9 t -109.55 94.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -81.52 116.32 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.857 HG21 HG21 ' A' ' 62' ' ' THR . 55.4 mt -99.17 102.44 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -61.42 -136.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.57 174.9 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.63 123.03 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.07 138.39 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 93.39 50.02 2.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 9.5 mt -99.88 118.69 61.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.15 11.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.554 1.818 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.03 150.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 42' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.487 0.185 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.899 HG21 ' HG2' ' A' ' 67' ' ' LYS . 8.7 t -155.83 173.35 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.516 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.4 p -165.24 176.69 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -120.61 71.16 18.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 168.33 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 18.1 p90 -173.33 137.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -91.12 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.858 ' HD2' HD13 ' A' ' 97' ' ' LEU . 10.2 mttt -107.52 126.03 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.853 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.3 ttp -96.19 130.82 43.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.659 HG21 ' CD ' ' A' ' 56' ' ' LYS . 60.9 m -140.27 128.36 22.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 52' ' ' ILE . 60.6 mt -85.27 81.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 ' HG2' ' A' ' 56' ' ' LYS . 2.1 mm? -65.84 155.54 86.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 -39.61 1.41 Allowed 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.0 0.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -56.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.659 ' CD ' HG21 ' A' ' 51' ' ' THR . 11.7 mtmt -60.79 -8.41 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 56' ' ' LYS . 5.1 mmtt -28.66 -77.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -60.05 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -99.3 131.3 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.853 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.5 m -150.94 143.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.2 160.91 28.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.857 HG21 HG21 ' A' ' 28' ' ' ILE . 37.9 p -93.93 132.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -37.4 115.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.1 p -75.5 102.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.5 mt -64.36 157.9 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -105.91 144.08 33.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.899 ' HG2' HG21 ' A' ' 43' ' ' THR . 3.4 mttm 42.48 82.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 9.1 t -176.18 119.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.6 mt -79.21 -26.95 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -121.37 78.58 35.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.555 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.95 140.24 25.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.503 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.36 96.97 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.9 m-85 -82.77 -43.73 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PHE . 2.3 m-20 39.19 45.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.8 -179.88 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.71 HG23 ' CG1' ' A' ' 25' ' ' VAL . 3.0 m -158.66 129.98 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 68.7 m-85 -121.25 125.16 46.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -100.89 141.32 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 82' ' ' ILE . 19.4 m-85 -139.6 121.4 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -99.88 128.01 46.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.47 -32.87 1.82 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.746 HG21 ' CD1' ' A' ' 87' ' ' ILE . 1.7 mp -61.04 116.61 19.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.564 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 17.55 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 24.9 t80 67.75 -57.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' PRO . 81.8 p -56.04 -16.92 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -90.0 -10.31 45.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.746 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.0 mm -58.47 -39.29 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.82 -9.42 28.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.13 12.25 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 79.4 mt -110.94 -175.54 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -178.45 121.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.578 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.9 mt -84.25 124.38 31.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 76.2 t60 -105.49 105.42 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.418 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 26.5 m-85 -94.02 102.23 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 97' ' ' LEU . 32.2 m -98.16 118.33 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.8 mp -87.56 85.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.858 HD13 ' HD2' ' A' ' 49' ' ' LYS . 3.8 mp -97.68 -165.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.41 122.47 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.552 HG23 HD22 ' A' ' 8' ' ' LEU . 9.6 mt -88.71 -44.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.09 167.08 39.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -123.16 130.8 53.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.3 t -126.15 145.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tp -140.85 139.48 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 113' ' ' ILE . 2.6 tp -137.43 97.16 10.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.65 18.88 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.24 58.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 150.16 -20.19 1.08 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.44 ' CG2' HD11 ' A' ' 120' ' ' LEU . 2.6 mm -51.74 144.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.784 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -134.68 104.73 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.446 HD22 ' H ' ' A' ' 120' ' ' LEU . 0.3 OUTLIER -96.71 11.56 35.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 10.0 t -56.39 -57.24 13.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -51.88 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.66 -145.13 8.8 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.417 ' NZ ' ' OG ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -91.95 122.03 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 18.4 ptp -107.03 144.86 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -92.75 138.31 31.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.9 mtm -143.59 145.7 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.53 149.27 49.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 113' ' ' ILE . 14.9 mmt180 -139.28 144.11 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 147.37 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 9' ' ' GLY . 8.0 mt -106.81 122.56 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.491 ' CA ' HD12 ' A' ' 8' ' ' LEU . 2.1 pp -136.62 -171.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 108' ' ' ILE . 79.7 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 175.68 -170.93 44.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 11' ' ' LEU . 55.2 m -123.6 170.59 10.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.94 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.99 121.69 18.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.94 ' N ' HD22 ' A' ' 11' ' ' LEU . 18.1 m-85 -105.37 141.67 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CD1' HD13 ' A' ' 11' ' ' LEU . 8.4 p90 -168.16 174.98 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.772 ' HB3' HD22 ' A' ' 126' ' ' LEU . 8.0 p -151.5 122.07 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -80.14 152.7 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.1 tt0 -159.74 130.98 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 29.4 t80 -101.41 130.07 47.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.697 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 11.1 t30 -79.49 60.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -41.18 -48.18 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -41.61 -59.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' LYS . 70.8 mtt180 -102.64 25.31 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 38.44 63.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -132.99 177.37 7.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.676 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 5.8 t80 -117.67 142.16 47.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.671 HG12 HG23 ' A' ' 76' ' ' THR . 11.9 t -130.98 121.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.676 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 89.3 t -114.56 95.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.0 t-20 -82.95 124.67 30.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.424 HD12 ' HE2' ' A' ' 77' ' ' PHE . 76.7 mt -105.97 103.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -137.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.486 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.4 OUTLIER -114.63 176.21 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.98 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 140.62 44.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.591 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 84.52 72.38 1.29 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.591 HD23 ' C ' ' A' ' 33' ' ' GLY . 9.9 mt -116.21 119.16 37.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.66 144.3 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 70.1 mmm . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.527 0.203 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 9.8 t -132.1 -178.77 5.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.536 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -165.26 177.14 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.527 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 1.4 m-20 -126.37 64.01 53.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 156.95 43.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 1.085 ' CE2' HD21 ' A' ' 97' ' ' LEU . 51.3 p90 -158.51 145.05 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.414 HD13 ' HG ' ' A' ' 11' ' ' LEU . 18.5 mt -91.91 146.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 0.4 OUTLIER -116.46 128.79 55.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' A' ' 51' ' ' THR . 2.9 tmm? -96.0 146.58 24.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.583 HG23 ' HG2' ' A' ' 59' ' ' LYS . 87.5 m -156.79 131.44 8.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.477 HG23 ' HG ' ' A' ' 90' ' ' LEU . 3.7 mt -89.87 103.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.56 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 22.5 mt -90.27 158.15 44.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -42.29 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.978 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.621 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -14.61 -65.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 7.1 tttt 81.74 5.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.33 -74.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.612 ' CE1' HD11 ' A' ' 82' ' ' ILE . 35.4 m170 -50.05 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 51' ' ' THR . 10.0 mtpt -115.87 117.61 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.7 m -134.63 163.03 37.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -149.52 165.96 30.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.466 ' HG1' ' HD1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -108.48 142.13 39.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.62 104.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 45' ' ' ASP . 1.4 p -58.18 101.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 71' ' ' PRO . 2.6 mt -53.57 149.15 8.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' LYS . 21.2 mmt-85 -101.57 137.72 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 28.8 mtmt 43.9 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 3.9 t -178.24 112.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.99 -18.43 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -131.58 74.83 77.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.492 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 139.82 24.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -120.71 98.55 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.466 ' HD1' ' HG1' ' A' ' 62' ' ' THR . 8.4 m-85 -80.15 -47.46 14.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.75 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -90.21 170.43 10.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.671 HG23 HG12 ' A' ' 25' ' ' VAL . 3.2 m -148.44 126.15 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.424 ' HE2' HD12 ' A' ' 28' ' ' ILE . 71.9 m-85 -114.56 119.63 37.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.543 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -90.18 155.99 18.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 78' ' ' THR . 42.0 m-85 -152.45 128.4 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 67.6 m-85 -107.6 161.36 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.91 -38.07 3.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.612 HD11 ' CE1' ' A' ' 58' ' ' HIS . 3.1 mt -61.77 114.51 11.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.2 Cg_endo -75.06 136.13 19.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 23.5 t80 -49.15 -25.76 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.5 p -74.51 -21.43 59.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -86.95 -10.76 52.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 8.4 mm -60.74 -61.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -48.55 -33.58 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -81.42 -25.12 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -67.76 -170.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 175.26 122.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.595 HD21 ' HE2' ' A' ' 24' ' ' PHE . 10.5 mt -87.29 144.76 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 84.2 t60 -126.43 104.25 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.602 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 111' ' ' VAL . 29.3 m-85 -94.42 108.8 20.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 ' HG3' ' A' ' 110' ' ' GLU . 93.1 m -100.89 105.42 16.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.654 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.9 mp -78.18 82.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.085 HD21 ' CE2' ' A' ' 47' ' ' TYR . 1.6 pt? -117.36 169.79 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.516 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.4 mt -79.27 138.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.542 HG23 HD22 ' A' ' 8' ' ' LEU . 6.1 mt -96.69 -45.1 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.55 167.72 40.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.423 ' HG3' HG23 ' A' ' 95' ' ' THR . 1.8 mp0 -121.88 150.74 41.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -137.22 153.68 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.9 tp -145.05 143.07 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.63 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.1 tp -141.09 97.82 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.38 6.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.84 -0.94 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -62.9 105.54 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.43 -35.97 4.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.512 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.4 mm -53.17 138.95 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 10.1 pt-20 -119.66 115.62 24.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 15' ' ' LEU . 1.2 mt -101.6 -1.49 32.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 93.7 p -38.41 -62.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -42.37 -42.65 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 153.33 -135.16 4.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -89.04 140.74 29.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.512 ' CE ' HG23 ' A' ' 118' ' ' ILE . 15.8 ptp -130.29 146.0 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -94.63 137.53 33.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.747 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.3 mtm -143.06 155.54 44.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.08 163.55 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -151.14 147.58 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.8 143.89 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.651 HG12 HD13 ' A' ' 96' ' ' ILE . 5.1 mt -101.64 123.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.63 -171.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.9 mm? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.71 -158.25 8.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 m -131.24 161.43 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 48' ' ' ILE . 8.4 tp -123.2 137.09 54.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.598 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.4 m-85 -120.33 138.02 53.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 4.9 p90 -166.7 166.38 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.673 ' HB3' HD22 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -139.44 118.21 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.712 HD21 HD23 ' A' ' 92' ' ' LEU . 2.3 mt -83.9 146.48 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -155.16 121.89 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 84' ' ' TYR . 50.2 t80 -95.65 142.59 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -109.82 113.6 26.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' ARG . 85.7 m-85 -81.01 -166.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 68.77 -57.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' LYS . 21.3 mtp180 -105.46 17.52 23.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 37.62 66.82 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.624 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -120.19 161.67 20.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.669 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.1 t80 -125.06 141.15 52.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 76' ' ' THR . 2.5 t -129.2 119.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.741 HG11 ' HG ' ' A' ' 92' ' ' LEU . 48.7 t -119.04 90.12 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -73.01 137.28 45.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.472 HG21 HG21 ' A' ' 62' ' ' THR . 7.1 mt -114.83 100.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -61.89 -138.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.2 pt-20 -114.21 174.39 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.91 143.17 50.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.85 131.75 31.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 106.17 42.13 1.69 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD11 HG21 ' A' ' 96' ' ' ILE . 5.0 mp -105.91 118.05 56.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.19 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 133.46 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 106' ' ' ASP . 1.6 mmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.42 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.51 0.195 . . . . 0.0 110.972 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 67' ' ' LYS . 10.2 t -175.97 168.73 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.58 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 m -165.66 178.47 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.86 67.63 15.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.58 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.98 142.12 27.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 1.011 ' CE2' HD21 ' A' ' 97' ' ' LEU . 36.0 p90 -136.29 140.13 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.602 ' CD1' HD13 ' A' ' 11' ' ' LEU . 58.0 mt -91.55 133.32 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 4.6 mttm -103.33 114.72 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.464 ' HB3' HG23 ' A' ' 60' ' ' VAL . 7.5 ttp -96.5 145.48 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.846 HG23 ' HG3' ' A' ' 59' ' ' LYS . 95.1 m -149.54 128.19 12.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.712 HD11 ' CE2' ' A' ' 79' ' ' PHE . 60.2 mt -81.56 81.55 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.755 HD13 ' HG3' ' A' ' 56' ' ' LYS . 2.5 mm? -67.16 154.4 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.94 -42.28 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.047 -2.481 . . . . 0.0 111.019 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' ILE . 28.0 mt-10 -53.64 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.755 ' HG3' HD13 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -63.18 -10.92 17.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -35.2 -63.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' ND1' ' HG3' ' A' ' 57' ' ' LYS . 15.6 m-70 -68.78 62.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.846 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.5 OUTLIER -86.9 136.47 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.7 m -147.76 149.41 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.51 157.45 44.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.472 HG21 HG21 ' A' ' 28' ' ' ILE . 17.7 p -87.95 165.86 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -60.39 147.73 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -88.01 100.65 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 71' ' ' PRO . 0.7 OUTLIER -58.34 164.89 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 67' ' ' LYS . 10.3 mmt85 -117.94 119.62 35.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HB3' HG21 ' A' ' 43' ' ' THR . 7.2 mttt 41.0 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 68' ' ' THR . 2.4 t -176.16 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.3 mm? -60.55 -35.06 75.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.16 80.65 12.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.98 149.81 37.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -124.8 103.17 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CE1' HD23 ' A' ' 65' ' ' LEU . 3.4 m-85 -87.49 -45.24 10.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t0 41.27 46.79 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 179.24 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.455 HG23 HG12 ' A' ' 25' ' ' VAL . 16.8 m -156.09 145.27 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 28.4 m-85 -133.53 132.81 41.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 135.67 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 52' ' ' ILE . 47.5 m-85 -136.56 112.87 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.624 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 92.6 m-85 -89.92 148.18 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.69 -51.64 0.69 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.761 HG21 HD11 ' A' ' 90' ' ' LEU . 3.2 mt -51.02 112.14 2.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.3 Cg_endo -74.98 142.69 28.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 27.5 t80 -49.73 -32.17 13.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.6 p -69.57 -19.4 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -88.18 -20.04 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.2 mm -51.17 -50.94 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -60.38 -12.27 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.89 9.91 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.761 HD11 HG21 ' A' ' 82' ' ' ILE . 71.8 mt -105.76 -179.56 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . . . -178.75 119.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.741 ' HG ' HG11 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -85.16 118.32 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 23.1 t-80 -99.97 105.05 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 111' ' ' VAL . 32.4 m-85 -97.6 136.32 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.728 HG23 ' HG3' ' A' ' 110' ' ' GLU . 90.4 m -127.86 113.57 16.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.6 mp -85.98 82.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.011 HD21 ' CE2' ' A' ' 47' ' ' TYR . 1.4 pt? -118.72 171.76 7.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 21.9 mt -83.72 147.56 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.437 HG22 ' HG ' ' A' ' 8' ' ' LEU . 3.2 mt -105.04 -44.51 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.86 164.47 37.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.728 ' HG3' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -114.38 166.18 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.516 HG11 HD23 ' A' ' 11' ' ' LEU . 3.5 t -151.04 152.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 tp -147.81 139.18 23.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.687 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.5 tp -136.99 95.26 12.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.448 1.762 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.602 HD11 HD21 ' A' ' 92' ' ' LEU . 20.9 mt -79.01 2.47 20.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.8 t -67.68 98.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.16 6.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.23 139.87 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 9.1 pt-20 -120.37 114.95 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.17 16.96 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p -69.26 -54.5 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -52.99 19.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.93 157.52 10.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.84 143.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 13.0 ptp -134.64 145.84 48.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.765 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -89.3 141.55 28.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.765 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 mtm -142.84 152.55 42.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.38 158.17 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.45 148.74 39.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -93.82 141.07 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.544 HG12 HD13 ' A' ' 96' ' ' ILE . 4.8 mt -99.31 116.7 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.72 -173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.0 mm? . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.82 -163.3 17.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 11' ' ' LEU . 93.7 m -118.89 172.92 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.983 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -141.17 123.93 16.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.983 ' N ' HD22 ' A' ' 11' ' ' LEU . 16.6 m-85 -108.64 140.47 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.8 p90 -163.47 165.22 24.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.617 ' HB3' HD22 ' A' ' 126' ' ' LEU . 13.3 p -138.98 129.27 25.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 92' ' ' LEU . 3.8 mt -92.08 146.42 23.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -156.94 126.17 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.0 t80 -103.41 126.56 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.597 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 41.7 t-20 -68.94 100.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -35.18 65.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.12 95.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mtp180 -116.41 20.41 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 35.9 71.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -137.85 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 12.1 t80 -116.99 136.96 52.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.715 HG12 HG23 ' A' ' 76' ' ' THR . 2.9 t -129.42 120.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.624 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 98.3 t -112.24 96.65 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.6 t-20 -81.82 135.51 35.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.639 HG21 HG21 ' A' ' 62' ' ' THR . 28.2 mt -111.55 101.83 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.98 -134.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.51 168.92 9.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.02 131.59 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.88 132.41 53.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.784 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.14 47.28 1.09 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 33' ' ' GLY . 3.3 mt -109.37 117.09 53.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.99 130.62 13.46 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . -37.58 148.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.471 0.177 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.444 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 7.5 t -159.1 175.47 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.484 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 p -165.91 176.28 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 9.6 m-20 -117.39 75.66 8.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 159.29 41.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.756 ' HB3' HG12 ' A' ' 64' ' ' VAL . 46.5 p90 -158.83 138.98 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 95' ' ' THR . 90.3 mt -92.12 146.5 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -109.03 126.8 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.906 ' HB3' HG23 ' A' ' 60' ' ' VAL . 5.4 ttp -102.29 133.18 47.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.689 HG21 ' HG3' ' A' ' 56' ' ' LYS . 39.4 m -139.33 143.56 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.0 mt -98.62 96.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.743 HD23 ' HB2' ' A' ' 56' ' ' LYS . 30.5 mt -89.71 159.94 42.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.637 ' HA ' ' HB3' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.94 -39.01 1.56 Allowed 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.995 -0.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.586 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.9 pt-20 -21.69 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.743 ' HB2' HD23 ' A' ' 53' ' ' LEU . 3.0 tttt 62.4 12.84 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -71.84 -64.8 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 5.8 m-70 -62.75 94.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.89 129.76 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 50' ' ' MET . 13.1 m -147.49 149.82 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -131.19 161.3 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.639 HG21 HG21 ' A' ' 28' ' ' ILE . 40.7 p -96.83 147.36 24.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 126.43 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.756 HG12 ' HB3' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -74.77 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.686 HD23 ' CB ' ' A' ' 71' ' ' PRO . 4.0 mm? -78.77 167.41 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -109.5 119.6 39.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 42.4 mttt 50.75 81.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -175.5 121.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.9 mm? -77.16 -22.91 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.91 86.07 24.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.686 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.01 151.54 39.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 89.98 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 6.2 m-85 -79.64 -44.64 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' PHE . 32.3 t70 37.81 42.49 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -86.23 179.36 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.715 HG23 HG12 ' A' ' 25' ' ' VAL . 6.0 m -155.5 125.37 6.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -118.54 130.18 55.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -103.07 152.7 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -150.52 120.54 7.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.4 146.31 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.64 -28.07 5.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.756 HG21 ' CD1' ' A' ' 87' ' ' ILE . 3.1 mp -65.54 116.15 28.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.55 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.98 16.46 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.562 ' H ' HG22 ' A' ' 82' ' ' ILE . 23.3 t80 68.42 -57.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' PRO . 67.5 p -57.04 -16.55 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -89.26 -12.08 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.756 ' CD1' HG21 ' A' ' 82' ' ' ILE . 8.8 mm -55.42 -36.44 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -73.33 -3.87 29.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.52 3.79 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 51.2 mt -103.21 -165.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 173.68 128.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 15' ' ' LEU . 8.2 mt -93.49 142.71 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.544 ' HB2' HD12 ' A' ' 53' ' ' LEU . 33.0 t-80 -123.17 105.13 9.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.426 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 28.5 m-85 -94.16 103.57 15.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.691 ' HB ' HD11 ' A' ' 97' ' ' LEU . 24.9 m -94.93 136.9 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.441 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.52 HG13 ' CG2' ' A' ' 131' ' ' ILE . 0.9 OUTLIER -97.81 89.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 95' ' ' THR . 2.1 mp -103.56 -169.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mt -66.83 110.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 96' ' ' ILE . 7.6 mt -76.29 -40.86 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.52 -170.77 25.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.662 ' HG3' HG23 ' A' ' 95' ' ' THR . 2.1 mt-10 -148.63 151.48 35.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.7 t -145.89 148.88 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.8 tp -144.27 140.59 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.634 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -137.53 96.85 10.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 123.69 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 28.4 mt -83.02 6.41 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.0 t -69.5 64.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 150.46 -27.36 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -65.26 142.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.51 ' O ' ' HE3' ' A' ' 125' ' ' MET . 0.0 OUTLIER -119.87 129.39 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 15' ' ' LEU . 56.8 mt -113.85 10.01 17.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.459 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t -51.04 -62.03 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -45.05 -62.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 175.51 -137.46 3.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.25 143.94 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.51 ' HE3' ' O ' ' A' ' 119' ' ' GLU . 16.7 ptp -129.61 148.21 51.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -100.92 134.5 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.782 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.4 mtm -142.49 156.29 45.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -135.02 159.82 40.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -147.8 144.45 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -85.49 148.32 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.52 ' CG2' HG13 ' A' ' 96' ' ' ILE . 12.2 mt -106.1 118.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.89 -171.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.447 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -165.5 -165.97 23.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 11' ' ' LEU . 98.2 m -118.19 170.29 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 0.717 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.955 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -137.9 122.73 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.955 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.3 m-85 -106.11 139.04 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -166.4 174.67 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.61 ' HB3' HD22 ' A' ' 126' ' ' LEU . 2.8 p -149.35 143.26 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 92' ' ' LEU . 4.5 mt -104.51 145.45 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -157.12 129.56 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.4 t80 -101.0 131.47 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.77 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 32.8 t-20 -75.51 58.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 85.9 m-85 -35.12 -49.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.64 -49.92 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.2 mtp85 -109.88 22.93 15.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 36.92 67.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.77 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.09 170.89 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.9 t80 -111.77 137.34 49.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG12 HG23 ' A' ' 76' ' ' THR . 2.2 t -129.15 114.95 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.595 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 78.5 t -109.03 98.42 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 9.2 t-20 -83.47 133.48 34.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.008 HG21 HG21 ' A' ' 62' ' ' THR . 17.4 mt -112.73 99.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' ILE . 3.1 tttp -61.17 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.47 174.44 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.92 128.69 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.22 139.51 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 92.7 48.0 3.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 46' ' ' PRO . 8.4 mt -99.66 119.6 59.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.52 14.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.32 145.6 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.419 ' CE ' HG12 ' A' ' 108' ' ' ILE . 9.9 mmt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.434 ' CE ' HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.509 0.195 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.552 HG21 ' HB3' ' A' ' 67' ' ' LYS . 6.0 t -130.16 -176.0 3.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.472 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 3.1 p -165.55 176.04 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.01 68.11 63.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.5 Cg_endo -74.94 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.048 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 1.3 p90 -175.95 142.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.3 153.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 93' ' ' HIS . 13.3 mttt -120.65 128.87 53.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.695 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.6 tmm? -95.94 148.14 22.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.509 ' CG2' ' HG2' ' A' ' 56' ' ' LYS . 97.1 m -155.81 125.65 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 58' ' ' HIS . 6.8 mt -85.6 97.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 11.7 mt -87.63 157.16 52.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -43.93 0.62 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.02 -0.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.659 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -12.01 -66.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER 80.85 1.59 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -70.18 -55.86 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.66 73.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LYS . 12.1 ttmt -97.33 121.92 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.695 HG23 ' HB3' ' A' ' 50' ' ' MET . 13.5 m -141.07 145.55 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.29 148.18 47.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 28' ' ' ILE . 12.0 p -87.22 143.43 27.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.583 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 3.1 ttm180 -38.05 138.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.502 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -105.85 95.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.4 mt -55.0 169.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 64' ' ' VAL . 21.9 mmt-85 -117.78 123.8 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 43' ' ' THR . 4.1 mttt 58.81 89.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 8.0 t -177.16 119.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' CE ' ' A' ' 42' ' ' MET . 6.2 mt -76.9 -26.65 54.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -123.73 75.58 55.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.98 139.91 24.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.485 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.91 97.03 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.8 m-85 -84.66 -39.6 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.38 48.91 2.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.6 mm-40 -88.8 170.62 10.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.57 HG23 HG12 ' A' ' 25' ' ' VAL . 15.5 m -152.74 131.61 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.438 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -121.46 131.49 54.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -102.83 155.42 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 78' ' ' THR . 26.4 m-85 -151.48 121.24 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.401 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 49.2 m-85 -104.44 148.22 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.2 -24.21 8.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.644 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.7 mp -66.73 121.97 80.01 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.05 15.77 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.585 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.2 t80 68.55 -56.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -57.75 -15.67 8.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -88.71 -15.14 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.644 ' CD1' HG21 ' A' ' 82' ' ' ILE . 14.2 mm -51.75 -47.17 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.34 -11.19 20.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.71 10.06 40.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 70.5 mt -110.25 -172.37 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.98 131.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.674 HD22 ' SD ' ' A' ' 50' ' ' MET . 13.5 mt -98.99 137.35 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 84.6 t60 -118.1 105.04 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.578 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.441 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 26.1 m-85 -93.42 100.16 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.596 ' O ' HD12 ' A' ' 97' ' ' LEU . 26.0 m -92.01 118.22 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.714 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.7 mp -88.13 88.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 95' ' ' THR . 4.2 mp -94.19 -164.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.59 98.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.693 ' HB ' HG22 ' A' ' 96' ' ' ILE . 72.0 mt -67.21 -32.06 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.501 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -178.89 167.67 38.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.34 136.9 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.6 t -129.39 150.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.5 tp -145.99 143.7 29.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -140.53 96.51 7.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.04 7.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 11.4 mt -76.7 0.19 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.35 76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 136.49 -41.11 1.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.404 HD12 ' SD ' ' A' ' 125' ' ' MET . 2.6 mm -43.28 139.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -115.86 103.63 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 15' ' ' LEU . 68.3 mt -92.98 -14.32 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 120' ' ' LEU . 1.0 OUTLIER -32.13 -65.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.54 -58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.89 -140.82 6.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -81.64 142.04 33.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.404 ' SD ' HD12 ' A' ' 118' ' ' ILE . 13.9 ptp -131.18 140.37 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.699 HD13 ' N ' ' A' ' 127' ' ' MET . 0.7 OUTLIER -94.35 137.4 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.699 ' N ' HD13 ' A' ' 126' ' ' LEU . 8.0 mtm -144.08 154.86 43.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -135.65 140.78 44.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.87 150.52 46.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 149.02 21.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 8' ' ' LEU . 5.4 mt -109.08 113.93 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.401 ' C ' HD12 ' A' ' 132' ' ' ILE . 2.2 pp -127.75 -172.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.91 158.11 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -163.03 106.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.11 109.25 2.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.6 104.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -100.99 157.47 16.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.75 -127.79 2.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.781 ' HB3' HG22 ' A' ' 131' ' ' ILE . 5.1 mt 45.72 76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.656 ' O ' HD12 ' A' ' 131' ' ' ILE . . . -57.85 -153.98 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 11' ' ' LEU . 46.8 m -114.39 169.51 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.967 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -131.5 123.17 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.967 ' N ' HD22 ' A' ' 11' ' ' LEU . 20.2 m-85 -105.95 142.66 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.523 ' O ' HD13 ' A' ' 126' ' ' LEU . 11.6 p90 -167.25 160.9 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.951 ' HB3' HD22 ' A' ' 126' ' ' LEU . 3.9 p -138.44 122.06 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -79.32 152.01 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -158.39 141.24 14.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 58.9 t80 -122.4 120.91 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.628 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 12.9 t-20 -68.42 68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 96.0 m-85 -47.59 -42.78 24.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -47.92 -48.25 31.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -111.56 22.93 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 38.47 67.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -135.12 163.24 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.707 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -104.38 140.01 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG1' HG23 ' A' ' 76' ' ' THR . 48.9 t -133.89 122.17 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.707 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 70.7 t -116.69 96.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 11.5 t-20 -84.09 136.32 34.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.959 HG21 HG21 ' A' ' 62' ' ' THR . 2.5 mt -114.59 102.43 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 2.7 tptt -61.55 -139.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.487 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.5 pt-20 -114.19 169.95 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.631 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -121.65 130.59 53.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.03 140.02 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 85.73 41.38 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.631 HD21 ' HB1' ' A' ' 31' ' ' ALA . 2.1 mt -86.16 129.7 52.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 132.17 15.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.798 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.59 151.31 41.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmt -123.59 -41.47 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.92 144.52 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -107.76 60.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -122.17 -68.78 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.53 36.14 4.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.91 58.52 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 67' ' ' LYS . 10.1 t -159.36 177.38 11.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.503 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.12 176.45 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.54 73.67 11.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.03 159.92 40.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.746 ' HB3' HG22 ' A' ' 64' ' ' VAL . 11.0 p90 -157.53 136.71 11.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.517 HD13 ' HG ' ' A' ' 11' ' ' LEU . 45.8 mt -91.77 130.54 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -95.35 135.87 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.815 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.6 ttp -104.14 140.66 37.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.3 m -154.65 135.58 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 58' ' ' HIS . 42.2 mt -95.32 95.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 56' ' ' LYS . 2.3 mm? -86.76 157.2 55.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.643 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.01 -43.86 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.643 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -15.5 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.581 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.4 tttt 72.25 12.64 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.01 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.532 ' HB2' HD12 ' A' ' 52' ' ' ILE . 69.7 m-70 -51.26 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -102.22 125.0 48.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 50' ' ' MET . 19.1 m -148.26 153.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 157.38 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.959 HG21 HG21 ' A' ' 28' ' ' ILE . 73.5 p -89.6 144.49 25.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -38.22 147.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.746 HG22 ' HB3' ' A' ' 47' ' ' TYR . 3.0 t -95.15 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.4 mm? -56.31 178.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' LYS . 6.8 mmt-85 -130.39 113.47 14.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.684 ' HB3' HG21 ' A' ' 43' ' ' THR . 48.7 mttt 48.56 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER 174.61 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.27 0.53 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 21.9 t0 -142.8 64.35 14.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.834 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 150.99 38.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -127.95 106.97 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -91.37 -41.53 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 32.0 t0 39.7 50.83 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.7 mt-10 -89.05 176.28 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.48 HG23 ' CG1' ' A' ' 25' ' ' VAL . 2.6 m -158.93 131.31 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.82 133.73 53.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.542 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.6 m -101.98 156.21 17.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 78' ' ' THR . 21.6 m-85 -153.8 137.87 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.405 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 97.1 m-85 -120.65 145.89 46.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.69 -25.6 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.628 HD13 ' HB2' ' A' ' 24' ' ' PHE . 2.0 mp -65.54 123.44 84.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.591 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.06 14.48 0.86 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.591 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 18.1 t80 67.34 -56.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 69.3 p -55.54 -17.5 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.0 -15.97 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.807 HD13 HD12 ' A' ' 90' ' ' LEU . 27.2 mm -52.39 -38.91 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.48 -9.01 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.06 13.22 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 87' ' ' ILE . 81.3 mt -106.58 178.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.92 129.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -90.73 113.54 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.479 ' HB2' HD23 ' A' ' 53' ' ' LEU . 19.8 t-80 -95.58 105.62 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -97.34 108.02 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.526 ' O ' HD12 ' A' ' 97' ' ' LEU . 20.9 m -99.06 117.66 34.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.606 HD13 HG12 ' A' ' 131' ' ' ILE . 4.9 mp -90.07 88.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -96.21 -165.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -153.27 110.06 3.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -96.47 141.01 30.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -165.29 64.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.602 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 45.08 -170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.602 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 60.3 m-85 44.98 25.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 40.15 83.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -114.7 120.75 41.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.94 96.54 6.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.44 85.5 2.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.518 HG13 HD23 ' A' ' 97' ' ' LEU . 24.6 mt -63.46 104.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.488 HG22 HD22 ' A' ' 8' ' ' LEU . 13.3 mt -65.42 -30.02 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . 177.55 169.96 39.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -123.24 135.2 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 11' ' ' LEU . 2.5 t -126.1 144.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 tp -140.08 140.8 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 113' ' ' ILE . 2.8 tp -139.38 94.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.15 5.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.617 HD11 HD21 ' A' ' 92' ' ' LEU . 29.7 mt -74.96 -1.08 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.6 t -64.23 91.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.61 -30.4 5.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.467 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.7 mm -57.85 147.8 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -122.09 102.97 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 15' ' ' LEU . 11.4 mt -93.88 -17.34 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 54.8 p -37.36 -57.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.61 -46.9 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 159.69 -141.32 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -90.84 141.04 29.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.467 ' CE ' HG23 ' A' ' 118' ' ' ILE . 14.8 ptp -134.38 140.45 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.951 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -87.65 140.33 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.562 ' HE3' HG12 ' A' ' 113' ' ' ILE . 6.3 mtm -143.73 155.76 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.88 159.66 40.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -144.91 143.42 30.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.81 141.0 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.781 HG22 ' HB3' ' A' ' 8' ' ' LEU . 6.9 mt -99.01 121.42 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.65 ' HA ' HD12 ' A' ' 8' ' ' LEU . 2.2 pp -134.16 -172.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t -86.35 79.59 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.422 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 59.73 156.82 0.03 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 66.19 6.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.97 104.71 8.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 72.6 m 46.25 92.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.64 148.79 44.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 p -156.07 -54.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.85 -176.01 19.0 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -51.01 134.6 26.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.05 167.86 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.9 169.53 20.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 HD22 ' CG2' ' A' ' 108' ' ' ILE . 83.8 mt -117.85 -91.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -161.36 -160.84 11.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 11' ' ' LEU . 72.6 m -124.47 171.46 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.451 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.982 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -138.38 122.57 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.982 ' N ' HD22 ' A' ' 11' ' ' LEU . 19.0 m-85 -106.86 143.39 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.765 ' O ' HD13 ' A' ' 126' ' ' LEU . 7.1 p90 -170.83 171.06 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.98 ' HB3' HD22 ' A' ' 126' ' ' LEU . 2.6 p -147.7 131.78 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -90.79 144.62 25.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.5 tt0 -155.62 125.35 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 67.8 t80 -102.84 128.81 49.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.495 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 20.0 t30 -75.28 85.99 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.4 -47.99 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -59.62 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.6 mtp180 -101.61 23.79 10.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 35.38 70.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -133.67 171.21 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.647 ' HB3' HD13 ' A' ' 82' ' ' ILE . 4.7 t80 -116.52 128.19 55.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.767 HG12 HG23 ' A' ' 76' ' ' THR . 2.5 t -118.57 126.36 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.644 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 61.2 t -114.53 94.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 10.9 t-20 -79.96 125.99 30.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.603 HG21 HG21 ' A' ' 62' ' ' THR . 86.2 mt -108.19 100.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.6 tttp -61.12 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.44 172.46 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.58 137.48 52.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.9 47.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.769 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.22 46.67 1.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 33' ' ' GLY . 2.3 mt -107.57 115.61 59.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.65 157.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.3 mmt -114.62 -25.39 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.52 -174.6 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.06 -58.21 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -38.19 -47.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -127.94 113.96 16.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.402 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -61.94 78.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.835 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.2 t -176.13 171.06 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.528 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 p -165.71 176.62 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.416 ' HB3' HG13 ' A' ' 64' ' ' VAL . 45.6 m-20 -118.23 72.97 9.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.03 149.21 36.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 9.2 p90 -145.84 138.84 25.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.54 133.21 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' A' ' 61' ' ' LYS . 14.7 mttt -105.07 124.13 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.753 ' HB3' HG23 ' A' ' 60' ' ' VAL . 5.0 ttp -96.6 149.8 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 59' ' ' LYS . 97.9 m -155.12 129.43 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.536 HD12 ' HB2' ' A' ' 58' ' ' HIS . 22.5 mt -85.9 90.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 93' ' ' HIS . 55.9 mt -86.25 157.27 56.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.03 -22.73 13.58 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 54' ' ' PRO . 15.6 mt-10 -25.62 -64.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 tttt 74.84 3.76 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -73.3 -66.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HD12 ' A' ' 52' ' ' ILE . 34.0 m170 -62.47 94.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HG2' HG23 ' A' ' 51' ' ' THR . 0.3 OUTLIER -108.94 119.48 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.753 HG23 ' HB3' ' A' ' 50' ' ' MET . 14.3 m -137.62 145.03 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -124.97 156.83 37.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.603 HG21 HG21 ' A' ' 28' ' ' ILE . 40.5 p -90.2 146.76 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -42.42 147.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 45' ' ' ASP . 12.7 t -90.33 98.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.806 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.3 mm? -54.91 166.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -121.29 125.76 47.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.835 ' HG2' HG21 ' A' ' 43' ' ' THR . 14.4 mttt 42.91 84.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 68' ' ' THR . 1.0 OUTLIER -177.83 119.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.5 mm? -74.88 -28.46 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -116.15 87.43 19.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.94 159.57 41.38 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.74 90.62 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.485 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 2.4 m-85 -80.69 -43.09 20.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 73' ' ' PHE . 61.7 t0 38.04 43.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.7 mm-40 -87.95 -178.25 5.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.767 HG23 HG12 ' A' ' 25' ' ' VAL . 3.9 m -156.24 123.73 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 41.7 m-85 -115.28 127.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -98.82 157.49 16.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 32.6 m-85 -155.99 119.37 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.23 155.58 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.87 -44.43 1.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.732 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.4 mp -49.77 114.06 3.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.66 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.547 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 23.2 t80 67.23 -57.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 70.5 p -55.63 -17.51 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -88.39 -11.91 44.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.732 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.7 mm -56.17 -36.92 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.25 -6.05 26.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -111.22 9.91 21.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 69.6 mt -109.13 -175.63 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -178.0 124.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.559 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.7 mt -88.04 132.42 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.746 ' HB2' HD12 ' A' ' 53' ' ' LEU . 36.7 t-80 -115.66 106.94 14.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -97.91 122.64 41.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.551 ' O ' HD12 ' A' ' 97' ' ' LEU . 41.8 m -115.18 120.59 40.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.747 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -90.22 87.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -92.28 -163.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.89 103.48 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -87.13 106.95 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 101' ' ' ARG . 12.0 m-20 -92.37 48.51 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER 33.77 42.18 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -153.6 26.19 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' ARG . 0.3 OUTLIER 73.51 -57.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.046 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' SER . 16.0 mmt-85 -36.98 126.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.93 130.88 54.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.76 100.7 9.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.491 HG13 HD23 ' A' ' 97' ' ' LEU . 32.9 mt -63.97 108.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.715 ' CG2' HD22 ' A' ' 8' ' ' LEU . 12.1 mt -76.49 -46.96 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.27 167.98 35.12 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -122.43 131.97 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 11' ' ' LEU . 55.2 t -125.29 138.53 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tp -134.94 142.67 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.2 tp -140.73 96.97 7.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.2 5.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.759 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.4 mt -77.79 2.22 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.0 t -68.1 91.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.86 -28.76 5.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.0 mm -65.3 149.15 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.513 ' O ' ' CE ' ' A' ' 125' ' ' MET . 0.0 OUTLIER -126.06 140.19 52.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 15' ' ' LEU . 34.3 mt -126.68 14.72 7.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -62.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -46.53 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 164.31 -139.0 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -96.73 146.11 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.8 ptp -132.79 160.92 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.98 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -105.35 140.26 38.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.456 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.5 mtm -142.75 150.35 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -135.37 162.85 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.49 146.01 23.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.61 146.3 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.428 HD12 ' CA ' ' A' ' 10' ' ' THR . 8.8 mt -106.13 125.1 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.643 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -139.78 -172.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t -93.65 76.55 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.643 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 73.41 153.16 2.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.03 40.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.453 1.765 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.18 -59.76 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 m -108.55 169.73 8.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -117.14 160.55 20.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -104.66 98.32 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.069 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.8 112.89 1.66 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -132.34 144.0 50.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.72 84.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.38 136.64 0.86 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.848 ' HB2' HG22 ' A' ' 131' ' ' ILE . 3.3 mm? -84.44 10.18 11.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.594 ' C ' HD12 ' A' ' 131' ' ' ILE . . . 116.45 -177.03 16.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 11' ' ' LEU . 59.3 m -117.25 167.77 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.966 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.05 122.15 20.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.966 ' N ' HD22 ' A' ' 11' ' ' LEU . 33.9 m-85 -107.79 136.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -160.31 173.38 15.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.8 129.81 14.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -89.71 136.27 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.7 tt0 -144.7 127.04 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -104.87 134.7 47.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.765 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 12.7 t-20 -83.4 60.75 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 17.5 m-85 -41.59 -50.28 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.8 -47.83 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.1 mtp180 -107.26 22.81 15.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.5 mmtt 37.18 69.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.765 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -142.02 172.76 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.761 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.9 t80 -121.3 140.08 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 77' ' ' PHE . 4.1 t -131.2 128.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.761 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 44.5 t -115.58 93.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.57 127.92 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.53 HG21 HG21 ' A' ' 62' ' ' THR . 5.4 mt -108.43 99.56 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.21 -137.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 10.8 pt-20 -113.87 175.0 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.59 154.34 46.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.66 143.12 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 94.82 32.32 7.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD12 ' CD ' ' A' ' 71' ' ' PRO . 6.4 mt -92.6 120.38 67.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.77 15.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.47 114.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.425 ' HG3' HD11 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -73.64 -40.54 63.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.72 170.13 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' SER . 16.1 mm-40 -93.59 -109.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 67.2 -64.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -150.04 33.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.06 61.8 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.443 HG21 ' HG2' ' A' ' 67' ' ' LYS . 5.0 t -165.77 176.99 7.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.53 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 p -165.68 176.53 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' A' ' 64' ' ' VAL . 48.8 m-20 -117.96 73.24 9.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.95 145.42 31.62 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.702 ' CB ' HG12 ' A' ' 64' ' ' VAL . 38.0 p90 -142.49 139.17 31.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.5 mt -93.16 136.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -103.36 155.96 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.658 ' HB3' HG23 ' A' ' 60' ' ' VAL . 6.0 ttp -123.74 150.04 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.633 HG22 HD22 ' A' ' 53' ' ' LEU . 14.9 m -160.49 138.09 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.583 HG23 ' HG ' ' A' ' 90' ' ' LEU . 8.1 mt -96.37 92.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.633 HD22 HG22 ' A' ' 51' ' ' THR . 3.4 mm? -83.91 156.42 64.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.0 -24.49 11.32 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.051 -0.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -24.4 -68.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.594 ' HG3' HG21 ' A' ' 51' ' ' THR . 53.0 tttt 81.08 -2.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.0 mmtt -66.67 -84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -47.44 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.646 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -111.71 124.21 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.658 HG23 ' HB3' ' A' ' 50' ' ' MET . 12.3 m -137.41 146.18 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -125.27 163.09 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.53 HG21 HG21 ' A' ' 28' ' ' ILE . 21.6 p -102.92 155.34 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 125.63 25.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.702 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -77.2 128.54 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.8 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -72.56 167.55 20.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -111.1 116.43 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HG2' HG21 ' A' ' 43' ' ' THR . 18.1 mttt 53.75 82.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -175.28 126.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 69' ' ' LEU . 3.0 mm? -83.92 -20.61 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 p-10 -118.63 80.2 16.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.8 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -75.04 148.35 35.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -128.72 92.37 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 3.6 m-85 -81.83 -45.98 14.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t70 42.24 43.81 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.16 -177.67 6.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.501 HG23 ' CG1' ' A' ' 25' ' ' VAL . 3.1 m -160.97 126.76 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.898 ' O ' HG13 ' A' ' 25' ' ' VAL . 27.0 m-85 -112.35 162.14 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 5.2 m -132.23 154.08 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 78' ' ' THR . 24.2 m-85 -156.51 129.07 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.407 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 94.2 m-85 -111.88 143.93 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.69 -22.35 8.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.594 HG22 ' H ' ' A' ' 84' ' ' TYR . 3.0 mp -64.76 117.78 41.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.572 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 17.19 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.594 ' H ' HG22 ' A' ' 82' ' ' ILE . 19.3 t80 66.4 -56.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.4 p -55.37 -17.85 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.61 -13.73 50.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.527 HD11 HG21 ' A' ' 82' ' ' ILE . 16.6 mm -56.39 -54.77 24.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.41 -30.76 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -82.73 -26.52 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.583 ' HG ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -66.7 -170.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 176.16 120.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 15' ' ' LEU . 12.8 mt -84.26 143.05 29.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.468 ' HB2' HD23 ' A' ' 53' ' ' LEU . 30.4 t-80 -126.23 105.3 8.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 11' ' ' LEU . 23.1 m-85 -93.44 115.48 28.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 m -108.62 122.49 47.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.85 91.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.494 HD23 HG13 ' A' ' 107' ' ' ILE . 4.4 mp -98.33 -164.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 37' ' ' MET . 32.9 t -152.72 133.43 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -110.3 139.98 44.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.96 58.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.445 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER 65.43 -83.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 77.8 m-85 -89.66 -50.59 5.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.2 m -71.37 62.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -110.64 154.08 24.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 104' ' ' ARG . 9.5 t70 78.74 8.21 2.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.36 89.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.494 HG13 HD23 ' A' ' 97' ' ' LEU . 36.8 mt -63.09 121.05 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.425 HD11 ' HG3' ' A' ' 37' ' ' MET . 23.0 mt -96.0 -31.56 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.36 170.81 41.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.77 135.69 49.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 11' ' ' LEU . 8.9 t -131.92 145.31 35.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.9 tp -143.36 142.11 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -139.65 97.88 8.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.13 6.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.3 mt -73.48 -3.84 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.1 t -55.68 97.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.93 -29.7 9.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.689 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.9 mm -50.78 140.79 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 6.5 pt-20 -118.13 116.86 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 15' ' ' LEU . 67.1 mt -108.61 -11.84 15.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 13.0 t -48.57 -56.02 9.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -46.85 -38.64 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . 144.0 155.68 6.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.1 OUTLIER -39.86 143.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.689 ' CE ' HG23 ' A' ' 118' ' ' ILE . 2.7 ptt? -135.87 154.46 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 127' ' ' MET . 0.6 OUTLIER -93.41 138.66 31.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.666 ' N ' HD13 ' A' ' 126' ' ' LEU . 1.7 mtm -142.21 146.73 35.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.36 165.22 21.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.5 147.43 24.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -88.65 144.64 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.848 HG22 ' HB2' ' A' ' 8' ' ' LEU . 7.2 mt -106.21 114.36 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.606 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.2 pp -123.48 -172.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.2 t -82.95 70.44 9.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.606 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 67.84 156.49 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 121.57 6.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.5 t -176.62 111.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.73 106.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.29 95.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -174.65 103.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.66 -158.76 8.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -161.73 -53.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.87 114.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.51 151.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.654 ' HB3' HG22 ' A' ' 131' ' ' ILE . 9.4 mt -82.1 -28.08 32.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 121.19 177.41 15.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.2 m -117.02 159.25 22.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.97 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -125.35 122.07 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.97 ' N ' HD22 ' A' ' 11' ' ' LEU . 11.5 m-85 -104.92 137.19 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' O ' HD13 ' A' ' 126' ' ' LEU . 9.8 p90 -166.03 167.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.6 ' HB2' HD22 ' A' ' 126' ' ' LEU . 29.5 t -142.26 146.0 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 120' ' ' LEU . 4.7 mt -106.4 142.38 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -153.56 122.13 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 54.1 t80 -99.78 131.96 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.513 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 8.0 t-20 -76.53 95.3 3.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.09 -32.0 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.57 -43.85 95.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.8 mtp85 -114.08 21.49 14.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASN . 3.7 mmtt 36.99 69.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.75 177.93 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -122.53 138.19 54.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.76 HG12 HG23 ' A' ' 76' ' ' THR . 2.4 t -131.68 123.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 85.1 t -114.51 88.36 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -68.82 131.32 44.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.648 HG21 HG21 ' A' ' 62' ' ' THR . 4.6 mt -110.51 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -63.27 -141.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -114.29 167.92 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.02 139.56 52.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 142.39 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 85.04 50.89 3.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD22 ' CD ' ' A' ' 71' ' ' PRO . 5.0 mp -99.1 125.2 42.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 139.88 24.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.58 144.63 47.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.7 mmt -98.35 -48.76 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -87.09 162.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -115.11 63.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -113.6 -69.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -131.68 43.55 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.403 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.1 OUTLIER 39.98 55.1 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.7 HG21 ' HG2' ' A' ' 67' ' ' LYS . 14.8 t -156.88 160.41 39.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.525 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.1 m -156.52 176.45 12.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -118.84 72.47 11.3 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.98 168.04 25.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.729 ' CB ' HG12 ' A' ' 64' ' ' VAL . 36.3 p90 -165.56 138.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.4 mt -91.87 141.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HD2' HD13 ' A' ' 97' ' ' LEU . 8.9 mttt -113.51 126.41 55.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.538 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.2 tmm? -96.21 148.85 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.633 HG23 ' HG2' ' A' ' 59' ' ' LYS . 98.8 m -157.93 129.22 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 3.4 mt -87.41 101.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.5 mt -90.36 158.32 43.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.631 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.01 -39.94 1.33 Allowed 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.631 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -16.58 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HG3' HG21 ' A' ' 51' ' ' THR . 2.6 tttt 74.02 13.6 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -71.16 -78.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -52.79 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.595 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.633 ' HG2' HG23 ' A' ' 51' ' ' THR . 50.1 mtpt -106.35 116.03 31.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.7 m -128.51 148.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -128.2 148.82 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.648 HG21 HG21 ' A' ' 28' ' ' ILE . 64.2 p -88.53 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 124.3 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.729 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -74.14 128.03 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.773 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -71.93 170.9 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -112.67 129.69 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.7 ' HG2' HG21 ' A' ' 43' ' ' THR . 10.7 mttt 40.26 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 7.5 t -175.31 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -97.26 7.82 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 85.68 4.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.773 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 149.74 37.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.8 89.65 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' ASP . 3.1 m-85 -78.03 -43.5 29.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' PHE . 6.2 p-10 37.5 42.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 179.17 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.76 HG23 HG12 ' A' ' 25' ' ' VAL . 2.8 m -152.49 126.99 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -116.78 120.15 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -96.81 141.96 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -135.94 121.19 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -101.91 131.25 48.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.9 -44.86 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.691 HG21 ' CD1' ' A' ' 87' ' ' ILE . 3.9 mp -43.9 117.53 2.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.575 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.97 15.7 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.598 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.1 t80 68.65 -56.76 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.7 p -57.14 -16.19 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.14 -11.29 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.691 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.6 mm -56.41 -53.19 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 116' ' ' SER . 20.5 mt-30 -49.89 -24.54 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.13 -24.87 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -66.76 -177.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 179.65 131.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.621 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -93.96 132.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.509 ' HB2' HD12 ' A' ' 53' ' ' LEU . 81.8 t60 -115.43 104.52 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -97.71 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 97' ' ' LEU . 47.7 m -107.96 121.86 45.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.459 HG22 ' HB ' ' A' ' 108' ' ' ILE . 5.3 mp -90.15 92.74 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.1 mp -94.51 -166.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 12.0 t -156.1 119.77 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 10.3 t80 -88.4 137.42 32.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 9.4 m-20 -170.26 74.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.522 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 1.4 mmt85 41.0 87.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CE2' ' HD3' ' A' ' 101' ' ' ARG . 8.1 m-85 39.09 67.86 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.79 20.98 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 55.55 41.31 30.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.04 94.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.76 87.77 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.1 mt -70.34 124.77 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.599 ' CG2' HD22 ' A' ' 8' ' ' LEU . 18.6 mt -93.4 -43.59 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.76 160.04 33.39 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.75 139.66 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.43 HG11 HD12 ' A' ' 11' ' ' LEU . 6.9 t -134.75 149.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -150.71 142.91 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.64 HG23 ' O ' ' A' ' 113' ' ' ILE . 0.8 OUTLIER -139.33 98.26 8.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.4 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.621 HD21 ' CD2' ' A' ' 92' ' ' LEU . 21.8 mt -82.04 6.43 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -70.97 57.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.84 -33.38 0.39 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -68.62 136.89 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 7.0 pt-20 -121.38 124.45 44.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 15' ' ' LEU . 3.4 mt -107.36 -1.66 21.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.9 -36.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -55.37 10.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.96 -144.65 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -89.66 145.38 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 8.8 ptp -141.0 138.31 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' A' ' 14' ' ' SER . 0.0 OUTLIER -80.02 142.3 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.582 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.9 OUTLIER -142.3 146.99 35.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.74 135.75 40.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.21 148.24 49.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.61 147.22 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.654 HG22 ' HB3' ' A' ' 8' ' ' LEU . 7.4 mt -103.55 128.62 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.491 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.0 pp -142.92 -171.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t -86.16 73.58 10.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.491 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 67.71 151.88 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 60.95 5.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.9 t -171.75 123.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.4 151.76 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.7 146.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -162.89 168.93 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.034 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.04 -77.31 0.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p 46.77 74.01 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -159.78 163.79 34.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.42 119.41 5.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.638 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.3 mm? -54.56 -77.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.474 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -176.65 -158.55 20.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 11' ' ' LEU . 94.2 m -119.41 174.12 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.707 ' C ' HD22 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -144.64 115.95 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.681 ' N ' HD22 ' A' ' 11' ' ' LEU . 14.1 m-85 -99.43 138.7 36.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -165.37 171.7 13.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.16 146.99 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.84 HD21 ' CD1' ' A' ' 92' ' ' LEU . 5.7 mt -111.06 146.13 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.6 tp10 -157.45 137.48 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 39.5 t80 -112.08 121.29 44.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.829 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 54.0 t-20 -69.72 74.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 2.6 m-85 -49.4 -45.85 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -43.53 -50.84 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.7 mtp180 -112.19 25.67 11.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 35.64 67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.829 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.65 167.42 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.678 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.7 t80 -112.53 135.43 53.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG1' HG23 ' A' ' 76' ' ' THR . 22.6 t -127.4 122.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.678 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 79.5 t -116.4 95.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -78.25 140.61 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.598 HG21 HG21 ' A' ' 62' ' ' THR . 8.2 mt -117.87 100.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HE3' HD21 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -61.64 -137.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.483 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.38 175.57 5.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -128.57 131.54 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.61 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.699 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 91.22 61.46 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 33' ' ' GLY . 8.1 mt -115.63 124.04 30.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.75 15.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.02 141.13 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 108' ' ' ILE . 13.3 mmt -92.47 -39.57 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.78 177.81 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.45 -50.65 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -40.75 -42.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 43' ' ' THR . 0.5 OUTLIER -132.62 120.82 22.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.97 69.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.856 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.0 t -168.12 170.2 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.502 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.48 176.86 7.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' HB3' HG13 ' A' ' 64' ' ' VAL . 55.9 m-20 -121.32 71.4 24.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -74.99 149.34 36.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 97' ' ' LEU . 46.5 p90 -141.92 138.03 31.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' ' 31' ' ' ALA . 22.2 mt -92.37 144.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -106.09 160.6 15.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.797 ' HB3' HG23 ' A' ' 60' ' ' VAL . 2.5 ttp -135.97 129.66 32.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.513 HG22 HD22 ' A' ' 53' ' ' LEU . 8.3 m -141.67 137.28 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.2 mt -91.41 91.91 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.625 HD11 ' HG3' ' A' ' 56' ' ' LYS . 3.2 mm? -84.86 156.3 61.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -24.33 11.53 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.979 0.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -23.88 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.625 ' HG3' HD11 ' A' ' 53' ' ' LEU . 12.1 tttt 78.84 2.95 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.9 mmtt -69.19 -90.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -44.43 96.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.3 mtpt -105.04 119.46 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 50' ' ' MET . 17.4 m -134.65 149.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.96 162.26 32.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.598 HG21 HG21 ' A' ' 28' ' ' ILE . 19.4 p -91.79 164.96 13.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -59.46 165.3 2.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.49 HG22 ' HB3' ' A' ' 47' ' ' TYR . 12.4 t -107.97 100.25 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.863 HD23 ' CB ' ' A' ' 71' ' ' PRO . 1.9 mm? -58.21 165.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -120.29 128.58 53.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.856 ' HG2' HG21 ' A' ' 43' ' ' THR . 18.2 mttt 43.79 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -177.56 139.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 34' ' ' LEU . 6.6 mt -93.22 -22.89 18.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' ALA . 4.9 m-20 -119.73 87.59 37.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.863 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 136.35 20.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -116.3 93.32 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 71' ' ' PRO . 2.9 m-85 -83.26 -45.09 14.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' PHE . 4.2 m-20 39.64 44.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.7 -178.57 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 ' CG1' ' A' ' 25' ' ' VAL . 19.4 m -159.05 127.24 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -115.91 135.18 54.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.409 ' C ' ' CG ' ' A' ' 79' ' ' PHE . 3.6 m -103.03 157.5 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.439 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CG ' ' C ' ' A' ' 78' ' ' THR . 36.9 m-85 -155.2 125.69 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -103.27 153.0 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.27 -57.9 0.87 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CG2' HD11 ' A' ' 90' ' ' LEU . 2.9 mp -44.96 109.32 0.88 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.96 134.54 18.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.48 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 19.5 t80 -47.83 -28.78 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.7 p -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -84.67 -20.77 30.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.582 HD13 HD12 ' A' ' 90' ' ' LEU . 12.8 mm -50.71 -45.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -61.42 -12.59 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.5 10.21 25.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.582 HD12 HD13 ' A' ' 87' ' ' ILE . 76.3 mt -107.16 -178.46 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -175.22 124.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.84 ' CD1' HD21 ' A' ' 15' ' ' LEU . 15.1 mt -89.47 136.71 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.448 ' HB2' HD23 ' A' ' 53' ' ' LEU . 25.3 t-80 -117.32 106.13 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 29.2 m-85 -93.06 114.79 27.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.673 HG22 ' CD2' ' A' ' 97' ' ' LEU . 22.9 m -109.44 117.57 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.0 mp -87.49 98.2 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.673 ' CD2' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -88.97 -171.45 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.839 ' OG ' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -152.8 101.99 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.464 ' CG ' ' N ' ' A' ' 100' ' ' ASP . 87.7 t80 -100.13 171.83 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.464 ' N ' ' CG ' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -179.86 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -147.43 -50.66 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -144.59 54.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.2 p -77.64 -19.25 55.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.033 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 48.61 59.24 4.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 48.15 95.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.98 82.99 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.596 HG23 HG22 ' A' ' 95' ' ' THR . 39.5 mt -60.4 105.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.839 HD11 ' OG ' ' A' ' 98' ' ' SER . 80.4 mt -64.26 -43.46 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.75 177.04 34.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -128.96 140.21 51.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.2 t -136.32 143.8 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 tp -136.96 147.83 46.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.6 tp -145.44 95.68 4.97 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.05 5.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.28 1.66 18.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.7 t -63.23 94.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.27 -25.55 9.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.69 140.61 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' C ' ' OE1' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -123.99 134.96 53.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.5 mt -120.73 15.53 11.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -50.78 72.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 165.5 -140.06 6.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 146.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.8 ptp -132.94 150.79 52.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -98.01 139.57 33.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.633 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.8 mtm -143.55 151.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.62 144.46 46.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -133.23 146.26 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 142.77 27.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.638 HG22 ' HB2' ' A' ' 8' ' ' LEU . 4.7 mt -101.6 120.26 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -134.35 -172.6 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.2 t -87.02 75.77 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.511 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 64.52 156.2 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.07 16.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.81 77.92 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.5 t -77.53 139.54 39.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.98 154.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 p -166.14 166.08 17.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.027 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.5 74.78 2.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -146.46 152.1 38.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -116.13 88.88 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.54 132.27 6.25 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.54 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.6 mm? -68.34 -89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.1 -165.95 19.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 m -120.23 164.57 16.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 48' ' ' ILE . 4.4 tp -130.93 139.72 50.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.504 ' N ' HD12 ' A' ' 11' ' ' LEU . 24.3 m-85 -123.37 141.62 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 6.5 p90 -169.45 162.4 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.571 ' HB3' HD22 ' A' ' 126' ' ' LEU . 5.1 p -132.95 124.39 27.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.662 HD21 HD23 ' A' ' 92' ' ' LEU . 2.5 mt -87.92 140.26 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -152.19 118.08 5.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 29.6 t80 -103.89 131.87 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.684 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 63.0 t-20 -79.61 122.4 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.8 m-85 -89.73 -32.74 16.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.37 -44.33 84.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.0 mtp180 -117.92 23.51 11.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER 36.54 63.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.684 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -120.41 172.21 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.705 ' CB ' HD13 ' A' ' 82' ' ' ILE . 5.3 t80 -125.99 123.22 38.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 HG23 ' A' ' 76' ' ' THR . 2.3 t -115.78 117.74 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 HD23 ' A' ' 15' ' ' LEU . 90.9 t -111.78 90.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.06 136.73 45.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' LYS . 11.7 mt -114.02 101.77 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.06 -135.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.473 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.3 pt-20 -114.21 174.07 6.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.52 141.49 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -134.42 134.41 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 102.99 47.14 1.38 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD23 ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -107.52 116.31 57.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.54 13.36 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.43 1.753 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.82 149.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -39.77 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -95.0 156.25 16.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -112.67 64.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -120.84 -64.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.03 40.59 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 49.23 48.68 20.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.548 HG21 ' HB3' ' A' ' 67' ' ' LYS . 13.1 t -160.88 154.85 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.496 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.0 p -139.67 177.69 7.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -116.43 75.88 6.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.496 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.08 153.84 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 8.7 p90 -152.3 137.15 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.667 ' CD1' HD13 ' A' ' 11' ' ' LEU . 11.7 mt -92.78 128.37 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.49 125.01 39.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.735 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.8 ttp -96.52 134.45 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 56' ' ' LYS . 86.8 m -148.18 125.53 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.67 HD12 ' HB2' ' A' ' 58' ' ' HIS . 61.4 mt -81.45 93.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 93' ' ' HIS . 29.1 mt -86.51 158.45 54.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.02 -19.88 17.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.02 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -28.19 -69.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.639 ' HA ' HG22 ' A' ' 51' ' ' THR . 0.8 OUTLIER 79.4 2.31 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 17.6 mmtt -71.03 -83.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.67 ' HB2' HD12 ' A' ' 52' ' ' ILE . 3.3 m-70 -50.0 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.59 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -107.27 129.67 54.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 50' ' ' MET . 9.1 m -140.69 149.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -126.33 168.48 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 p -84.94 178.25 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.92 4.06 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 47' ' ' TYR . 41.6 t 50.89 98.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -61.22 163.14 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -116.04 107.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.548 ' HB3' HG21 ' A' ' 43' ' ' THR . 12.6 mttt 56.62 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.95 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.26 -5.13 40.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -141.25 68.35 26.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.804 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 155.3 42.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.13 102.09 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CE1' HD23 ' A' ' 65' ' ' LEU . 3.3 m-85 -82.63 -45.62 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 40.9 43.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -175.92 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.67 HG23 HG12 ' A' ' 25' ' ' VAL . 2.9 m -158.12 129.73 6.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 51.4 m-85 -126.23 121.96 34.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -97.44 158.28 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 78' ' ' THR . 36.9 m-85 -155.85 131.86 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 32.1 m-85 -110.28 138.26 46.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.5 -31.96 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.751 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.0 mt -63.04 116.11 22.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.61 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.576 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 27.8 t80 67.13 -57.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 42.5 p -56.11 -17.73 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.0 tt0 -89.21 -11.65 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.751 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.1 mm -56.06 -45.04 80.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -60.2 -13.35 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -104.11 10.57 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 83.1 mt -109.52 -177.98 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -176.32 122.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.787 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.7 OUTLIER -83.61 114.38 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.739 ' HB2' HD12 ' A' ' 53' ' ' LEU . 20.9 t-80 -94.03 104.98 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.497 ' CD2' HD21 ' A' ' 11' ' ' LEU . 28.9 m-85 -96.71 109.84 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 97' ' ' LEU . 22.5 m -102.91 120.29 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.1 mp -93.34 87.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.8 mp -95.26 -162.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.29 122.92 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -102.36 132.8 48.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.06 -82.1 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 -45.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -89.07 -52.9 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.29 -66.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 38.86 76.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.22 81.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.89 89.0 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.469 HG13 HD23 ' A' ' 97' ' ' LEU . 32.8 mt -65.14 111.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.413 HG22 ' HG ' ' A' ' 8' ' ' LEU . 48.4 mt -79.88 -29.1 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.465 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -173.88 176.95 46.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.67 131.96 45.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.612 HG11 HD23 ' A' ' 11' ' ' LEU . 3.3 t -127.77 147.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 tp -146.81 139.53 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.708 HG23 ' O ' ' A' ' 113' ' ' ILE . 4.1 tp -134.12 94.73 17.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 92' ' ' LEU . 10.0 mt -77.88 2.61 16.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.1 t -60.41 87.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.3 -21.88 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.43 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.4 mm -65.72 148.97 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 125' ' ' MET . 4.5 pt-20 -124.94 122.21 36.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' GLU . 32.4 mt -122.49 46.51 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -67.74 66.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.047 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.525 ' HG3' ' CG ' ' A' ' 19' ' ' PHE . 6.6 mt-10 66.45 8.01 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.24 112.97 3.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -79.07 128.71 33.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.7 ptp -125.51 137.9 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -83.26 140.22 32.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.628 ' HE3' ' CG1' ' A' ' 113' ' ' ILE . 2.2 mtm -141.65 153.77 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 1.2 p30 -136.4 160.82 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.51 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 12.6 mmt-85 -146.09 148.83 33.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -96.55 137.92 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.54 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.5 mt -96.6 121.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -132.56 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.2 t -86.78 77.7 9.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 59.49 158.07 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -67.38 95.72 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 t 62.11 166.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -84.98 162.44 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.01 124.43 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.31 134.57 1.82 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.84 155.18 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.41 139.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.98 127.23 3.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD22 HG23 ' A' ' 108' ' ' ILE . 23.2 mt -74.43 -93.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.451 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -161.7 -165.65 18.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 11' ' ' LEU . 56.5 m -121.65 169.07 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.51 118.68 15.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.894 ' N ' HD22 ' A' ' 11' ' ' LEU . 14.5 m-85 -104.94 139.73 39.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 3.1 p90 -163.83 163.79 23.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.451 ' HB3' HD22 ' A' ' 126' ' ' LEU . 5.0 p -136.5 118.72 15.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -78.62 150.28 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' VAL . 13.1 tt0 -161.97 132.19 4.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 76.8 t80 -111.91 131.66 55.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -79.81 95.33 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.19 -43.8 93.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.41 -56.2 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.4 mtt-85 -103.87 20.11 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.0 mttt 36.02 68.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -129.82 169.49 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.699 ' CB ' HD13 ' A' ' 82' ' ' ILE . 5.1 t80 -113.4 124.95 53.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.1 t -114.54 134.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 96.0 t -126.72 94.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 76' ' ' THR . 1.0 OUTLIER -82.69 121.4 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.434 HG21 HG21 ' A' ' 62' ' ' THR . 10.2 mt -100.72 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.66 -135.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.33 171.71 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 127.46 41.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -115.0 136.27 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.576 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 101.21 50.63 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD12 ' HG2' ' A' ' 46' ' ' PRO . 3.6 mt -103.03 113.46 65.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.67 157.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt -114.83 -32.17 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -90.74 167.23 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.9 -18.42 12.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -70.11 -37.5 75.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.5 146.56 44.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.659 ' CE ' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -83.21 46.65 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 12.6 t -146.7 172.01 14.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.456 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -165.15 175.23 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -125.07 70.02 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.585 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.4 Cg_endo -74.94 169.54 22.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.713 ' CB ' HG12 ' A' ' 64' ' ' VAL . 45.9 p90 -163.71 138.53 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 95' ' ' THR . 70.7 mt -92.99 142.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -112.07 130.57 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.596 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.2 tmm? -96.51 149.76 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.1 m -156.08 130.35 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.769 HD11 ' CD2' ' A' ' 79' ' ' PHE . 5.6 mt -89.96 86.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.914 HD21 ' HD2' ' A' ' 56' ' ' LYS . 79.5 mt -83.08 156.46 66.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.66 13.68 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.963 0.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -26.21 -68.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.914 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER 77.7 7.1 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.92 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -46.53 94.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' LYS . 13.1 mtpt -105.22 122.56 46.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.596 HG23 ' HB3' ' A' ' 50' ' ' MET . 7.0 m -135.09 154.69 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -130.56 157.76 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.517 ' HB ' ' CG ' ' A' ' 73' ' ' PHE . 25.4 p -97.08 131.87 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.49 126.81 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.713 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.68 127.46 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.794 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.8 mm? -70.97 170.65 12.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' LYS . 15.6 mmt-85 -111.42 124.32 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 10.7 mttp 40.92 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.23 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 t -175.5 147.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.659 HD11 ' CE ' ' A' ' 42' ' ' MET . 4.9 mt -104.67 -9.52 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -132.14 80.01 65.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.794 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.02 146.43 32.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.779 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.45 93.76 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 19.5 m-85 -79.02 -39.24 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' PHE . 22.5 t0 38.73 30.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.691 ' CG ' ' CE1' ' A' ' 77' ' ' PHE . 3.9 tp10 -96.89 143.4 27.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.484 ' CB ' ' HA ' ' A' ' 27' ' ' ASN . 1.5 t -126.65 141.77 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.691 ' CE1' ' CG ' ' A' ' 75' ' ' GLU . 19.1 m-85 -122.45 124.57 43.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -86.7 166.38 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.769 ' CD2' HD11 ' A' ' 52' ' ' ILE . 51.7 m-85 -158.59 107.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -86.58 144.41 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.36 -41.43 1.68 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.9 mp -51.94 118.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.548 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 16.84 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.443 1.759 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.582 ' H ' HG22 ' A' ' 82' ' ' ILE . 31.9 t80 68.69 -56.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' PRO . 75.8 p -58.28 -15.78 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -91.28 -10.28 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' ILE . 5.0 mm -55.65 -35.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -74.22 -2.47 25.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.92 13.97 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.073 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 81.6 mt -109.49 -167.85 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 176.18 123.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.584 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.4 mt -89.1 128.78 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.743 ' HB2' HD12 ' A' ' 53' ' ' LEU . 33.8 t-80 -111.45 106.12 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD2' HD11 ' A' ' 11' ' ' LEU . 29.2 m-85 -94.74 111.77 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 48' ' ' ILE . 31.7 m -103.54 123.64 47.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.783 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.8 mp -93.4 86.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.439 HD23 HG13 ' A' ' 107' ' ' ILE . 3.2 mp -94.96 -166.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 34.8 t -153.16 124.9 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -75.05 131.22 40.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -122.51 151.22 41.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -70.84 59.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 101' ' ' ARG . 16.0 m-85 -166.69 -83.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.11 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -46.94 151.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.75 106.05 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.59 101.14 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.439 HG13 HD23 ' A' ' 97' ' ' LEU . 30.8 mt -67.24 105.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.72 ' HB ' HG22 ' A' ' 96' ' ' ILE . 16.4 mt -67.09 -39.37 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.406 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -173.0 164.31 36.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -121.64 131.8 54.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG11 HD12 ' A' ' 11' ' ' LEU . 2.9 t -122.16 149.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 tp -141.86 149.22 39.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.7 tp -149.81 98.23 3.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.01 6.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.581 HD11 ' HZ ' ' A' ' 24' ' ' PHE . 15.2 mt -77.51 0.3 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.1 t -64.32 94.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.28 -25.8 7.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.66 139.96 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -122.82 113.77 19.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.53 HD21 ' CB ' ' A' ' 15' ' ' LEU . 28.7 mt -92.55 4.86 52.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.454 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -47.31 -61.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -41.49 -50.22 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 159.04 -138.2 5.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -88.61 125.54 34.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' SER . 19.4 ptp -112.98 152.16 29.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 127' ' ' MET . 0.6 OUTLIER -100.95 134.95 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.801 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.6 mtm -142.61 154.85 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.77 164.7 27.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.516 ' CG ' HD13 ' A' ' 113' ' ' ILE . 1.9 mmt180 -152.82 146.08 24.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -88.28 140.53 29.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.221 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.547 HG22 ' CD1' ' A' ' 8' ' ' LEU . 4.7 mt -97.74 119.34 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.3 pp -132.66 -170.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 t -97.28 72.37 2.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 73.28 153.53 2.45 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 166.34 29.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.84 128.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.961 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.4 m -111.59 -57.87 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -162.59 108.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.33 170.04 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.26 153.41 17.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -155.02 114.02 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.38 168.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.6 147.75 16.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 ' HB2' HG22 ' A' ' 131' ' ' ILE . 3.3 mm? -74.58 -92.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 -168.53 18.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.9 m -122.97 161.25 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.455 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' CD1' ' A' ' 48' ' ' ILE . 2.1 tp -124.52 147.05 48.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.755 ' N ' HD12 ' A' ' 11' ' ' LEU . 15.9 m-85 -128.41 137.03 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' O ' HD13 ' A' ' 126' ' ' LEU . 15.0 p90 -168.79 159.82 9.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.797 ' OG ' HD22 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -137.2 120.87 17.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.65 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.6 OUTLIER -76.61 138.29 40.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -144.43 125.94 14.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 61.5 t80 -102.47 124.23 47.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.852 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 33.2 t-20 -70.34 60.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -42.14 -45.77 4.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.46 -44.59 25.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -114.33 23.6 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASN . 8.5 mttt 37.89 66.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.852 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -135.98 168.94 18.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.629 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 4.1 t80 -111.62 126.01 54.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 76' ' ' THR . 2.1 t -122.05 120.84 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 65.6 t -110.33 98.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 2.5 t-20 -83.39 111.18 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.535 HG21 HG21 ' A' ' 62' ' ' THR . 45.6 mt -94.52 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -62.58 -137.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.506 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.1 pt-20 -113.83 174.59 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -128.75 139.06 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -131.6 136.4 47.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.94 37.94 2.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 69' ' ' LEU . 6.5 mt -98.87 115.61 65.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.06 164.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.8 mmt -116.63 -40.69 3.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -111.32 177.7 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' GLN . 1.3 pt-20 -108.52 -5.72 16.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' GLU . 7.1 mt-30 -37.74 -81.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.31 35.52 4.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 45.41 64.21 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.714 HG21 ' HG2' ' A' ' 67' ' ' LYS . 10.2 t -168.0 -179.9 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.515 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.66 176.49 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -120.45 71.25 17.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 179.28 6.24 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.019 ' CE2' HD21 ' A' ' 97' ' ' LEU . 55.5 p90 -178.4 144.72 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.844 ' CD1' HD13 ' A' ' 11' ' ' LEU . 6.5 mt -92.11 139.54 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 93' ' ' HIS . 15.1 mttt -106.24 125.08 50.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.798 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.3 ttp -96.27 149.09 22.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 53' ' ' LEU . 25.0 m -159.14 129.85 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' A' ' 58' ' ' HIS . 14.9 mt -88.54 89.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 51' ' ' THR . 3.2 mm? -84.93 156.41 60.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.93 -24.31 11.51 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.006 -0.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.562 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.3 mt-10 -24.92 -64.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HG3' HD11 ' A' ' 53' ' ' LEU . 3.5 tttt 72.26 4.95 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 9.1 tppt? -75.37 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.53 ' HB2' HD12 ' A' ' 52' ' ' ILE . 43.6 m-70 -65.54 74.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LYS . 5.4 ttmt -92.15 123.67 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.798 HG23 ' HB3' ' A' ' 50' ' ' MET . 11.0 m -140.15 148.25 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -129.39 152.87 48.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.535 HG21 HG21 ' A' ' 28' ' ' ILE . 70.0 p -93.52 133.35 36.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -35.99 150.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.665 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -103.93 96.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.5 mt -55.78 154.97 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 67' ' ' LYS . 10.8 mmt85 -98.72 142.68 29.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.714 ' HG2' HG21 ' A' ' 43' ' ' THR . 5.6 mttt 38.14 85.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 68' ' ' THR . 4.8 t -176.56 103.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 mm? -64.5 -30.59 71.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -117.2 81.06 12.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 143.25 28.84 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.42 1.747 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.69 94.78 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.2 m-85 -81.67 -41.4 21.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' PHE . 3.4 t0 39.48 44.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -83.26 177.3 8.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.588 HG23 HG12 ' A' ' 25' ' ' VAL . 13.8 m -154.72 121.88 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 45.6 m-85 -117.59 125.56 51.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.1 m -101.74 156.67 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' THR . 11.3 m-85 -154.5 133.29 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.32 147.17 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.1 -16.63 8.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.775 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.0 mp -77.71 116.39 57.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.536 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.96 21.66 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.536 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 16.3 t80 66.73 -59.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' PRO . 82.0 p -54.86 -18.81 5.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -87.51 -11.56 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.775 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.6 mm -58.05 -41.05 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -67.91 -7.31 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.07 13.04 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 80.0 mt -110.14 -170.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 178.35 123.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' A' ' 15' ' ' LEU . 13.0 mt -90.0 133.56 34.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.424 ' HB2' HD23 ' A' ' 53' ' ' LEU . 83.1 t60 -114.12 109.06 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD2' HD21 ' A' ' 11' ' ' LEU . 31.9 m-85 -99.11 110.62 23.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.723 HG23 ' HG2' ' A' ' 110' ' ' GLU . 56.4 m -107.29 101.08 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.859 HD13 HG12 ' A' ' 131' ' ' ILE . 4.4 mp -79.18 83.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.019 HD21 ' CE2' ' A' ' 47' ' ' TYR . 2.2 pt? -111.56 171.88 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -113.53 156.66 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -76.25 122.85 24.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.71 143.06 33.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.87 2.8 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -140.43 -58.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -179.15 -44.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -54.36 93.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.7 OUTLIER -68.61 113.14 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.51 87.64 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.5 mt -83.28 110.78 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.463 HG23 HD12 ' A' ' 8' ' ' LEU . 29.2 mt -60.0 -47.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.519 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -172.6 173.98 45.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.723 ' HG2' HG23 ' A' ' 95' ' ' THR . 52.4 mt-10 -124.03 156.98 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.5 t -142.64 154.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.19 145.93 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.621 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -144.78 98.77 4.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.8 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.3 -0.81 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -69.6 99.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.72 -27.44 8.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.414 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.8 mm -55.57 147.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HE1' ' A' ' 125' ' ' MET . 21.9 mt-10 -120.76 97.21 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 15' ' ' LEU . 11.7 mt -92.0 -14.34 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLU . 55.3 p -39.34 -64.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 1.5 mt-10 -37.73 -42.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.08 -138.43 6.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -93.11 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.43 ' HE1' ' O ' ' A' ' 119' ' ' GLU . 15.3 ptp -130.08 136.6 49.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.797 HD22 ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -84.95 140.33 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.478 ' CE ' HG12 ' A' ' 113' ' ' ILE . 1.4 mtm -141.72 156.47 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -133.35 157.5 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.51 ' NE ' ' CD1' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -139.71 146.32 39.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.45 141.49 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.859 HG12 HD13 ' A' ' 96' ' ' ILE . 2.6 mp -101.58 116.95 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.76 -172.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.8 t -86.85 72.16 10.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.059 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.99 152.59 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.442 1.759 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.6 p -147.93 92.24 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 11.0 p -136.82 159.35 42.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.96 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t 62.79 128.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.43 130.03 2.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.92 168.3 12.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -103.61 113.45 26.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -173.33 152.01 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.55 121.21 6.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.637 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.2 mm? -47.36 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -172.47 -164.37 27.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 11' ' ' LEU . 94.5 m -118.84 170.01 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 0.775 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -141.13 125.65 17.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.968 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.3 m-85 -107.76 139.53 42.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' HE2' HD21 ' A' ' 15' ' ' LEU . 9.5 p90 -165.18 170.59 14.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.698 ' HB3' HD22 ' A' ' 126' ' ' LEU . 4.3 p -147.55 121.1 9.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.592 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -79.78 152.24 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' VAL . 11.8 tt0 -162.3 137.41 7.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 5.6 t30 -79.97 86.29 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.81 -42.74 99.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.24 -47.42 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.2 mtp85 -115.9 24.93 11.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER 36.42 67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.772 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -131.66 172.31 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 7.1 t80 -110.48 150.34 29.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.574 HG12 HG23 ' A' ' 76' ' ' THR . 2.7 t -143.45 126.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 77.9 t -121.45 90.22 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 18.1 t-20 -76.13 120.21 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.628 HD11 ' HG3' ' A' ' 50' ' ' MET . 3.5 mt -102.05 102.58 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -138.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.1 pt-20 -114.63 170.28 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.48 129.86 54.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.6 132.49 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 98.62 44.04 2.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD23 ' CG ' ' A' ' 46' ' ' PRO . 4.9 mp -99.0 121.5 55.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.27 16.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 147.78 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.4 mmm -101.14 -26.67 13.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -179.55 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.78 -45.07 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -39.97 -43.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -136.55 138.64 41.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.96 66.81 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -173.37 153.96 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.529 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 p -149.61 176.05 11.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.0 p-10 -119.62 71.51 14.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 163.46 35.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.15 ' CE1' HD21 ' A' ' 97' ' ' LEU . 43.8 p90 -157.77 139.22 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.78 138.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -106.32 124.69 49.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.628 ' HG3' HD11 ' A' ' 28' ' ' ILE . 3.7 tmm? -95.81 145.78 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 HD22 ' A' ' 53' ' ' LEU . 87.2 m -155.81 138.99 15.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.591 HG23 ' HG ' ' A' ' 90' ' ' LEU . 4.9 mt -94.27 89.23 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.526 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.7 mm? -83.8 156.5 64.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.92 -25.21 10.44 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.023 -0.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.577 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -23.05 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER 81.47 15.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -80.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -52.73 99.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -112.92 116.25 29.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.444 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.1 m -132.66 155.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 144.95 36.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -90.38 177.6 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.606 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 96.3 mtt180 -64.37 141.76 58.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.734 HG12 ' CB ' ' A' ' 47' ' ' TYR . 2.5 m -88.14 -20.22 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 2.3 mt 59.16 151.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.9 mmt180 -102.46 134.58 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 66' ' ' ARG . 3.6 mttt 42.94 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 68' ' ' THR . 6.8 t -173.27 114.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.07 -20.74 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.5 78.94 73.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.03 143.44 28.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -126.52 96.35 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 63' ' ' ARG . 1.8 m-85 -82.06 -44.23 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.9 t0 40.69 46.37 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 5.9 mm-40 -89.33 -176.48 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.574 HG23 HG12 ' A' ' 25' ' ' VAL . 2.7 m -158.15 126.61 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 61.7 m-85 -115.25 124.3 51.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -98.86 146.23 26.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 20.3 m-85 -144.13 137.55 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.772 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 88.6 m-85 -119.48 139.58 51.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.35 -19.43 5.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.657 HD13 ' HB2' ' A' ' 24' ' ' PHE . 2.7 mp -70.92 122.14 86.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.97 14.94 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.607 ' H ' HG22 ' A' ' 82' ' ' ILE . 19.3 t80 67.04 -57.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.1 p -53.87 -18.54 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.436 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -83.49 -17.15 42.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.596 HG23 HD12 ' A' ' 115' ' ' LEU . 16.9 mm -53.46 -51.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -53.89 -19.13 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -97.63 -21.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.591 ' HG ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -70.36 -171.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 177.04 120.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.597 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -81.51 127.78 33.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.512 ' HB2' HD23 ' A' ' 53' ' ' LEU . 24.5 t-80 -111.44 105.29 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' VAL . 35.2 m-85 -98.27 111.84 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -101.31 106.7 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.3 mp -80.82 81.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.15 HD21 ' CE1' ' A' ' 47' ' ' TYR . 1.7 pt? -115.96 170.02 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 1.4 p -115.0 148.74 38.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 100' ' ' ASP . 42.5 t80 -96.7 162.96 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 99' ' ' PHE . 7.0 m-20 158.35 63.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.59 -77.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ASP . 37.5 m-85 -141.69 -60.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 38.94 31.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' PHE . 23.5 mtt180 53.11 46.4 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 44.36 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -82.92 76.02 9.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.511 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.1 mt -81.41 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 8' ' ' LEU . 12.1 mt -98.2 -39.19 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.51 168.51 40.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -120.07 154.46 34.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -138.88 148.07 24.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.7 148.17 40.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.3 tp -148.4 96.64 3.88 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 120.93 6.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.597 HD21 ' CD2' ' A' ' 92' ' ' LEU . 21.4 mt -71.92 -4.8 30.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -58.47 105.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.05 -33.4 6.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.482 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.7 mm -61.95 137.45 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 7.6 pt-20 -116.46 113.23 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.614 HD23 ' HE3' ' A' ' 125' ' ' MET . 66.7 mt -93.11 -14.8 26.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.61 -53.87 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -50.4 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 160.07 -142.19 8.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -91.9 119.46 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.614 ' HE3' HD23 ' A' ' 120' ' ' LEU . 15.0 ptp -111.63 139.47 47.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -91.89 140.02 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.767 ' N ' HD13 ' A' ' 126' ' ' LEU . 8.3 mtm -144.77 151.4 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -131.19 144.63 51.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.407 ' CG ' HD13 ' A' ' 113' ' ' ILE . 4.6 mmt180 -130.5 146.98 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -92.99 138.57 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.637 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.3 mt -95.48 118.09 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.2 pp -130.23 -172.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.0 t -87.45 71.91 9.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.416 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 63.17 156.1 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 82.85 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.787 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.9 p -139.9 119.48 13.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.2 m 64.22 118.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.67 137.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.08 135.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.59 -156.86 9.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 m -124.37 88.46 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.45 125.42 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.668 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.1 mm? -52.38 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -174.42 -166.02 31.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -113.9 164.11 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.996 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -137.06 125.19 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.996 ' N ' HD22 ' A' ' 11' ' ' LEU . 7.4 m-85 -105.87 139.16 40.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' O ' HD13 ' A' ' 126' ' ' LEU . 9.1 p90 -166.45 162.84 17.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.599 ' HB3' HD22 ' A' ' 126' ' ' LEU . 15.3 p -136.53 151.21 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.812 HD21 ' CD1' ' A' ' 92' ' ' LEU . 6.0 mt -112.82 152.89 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.99 125.15 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 11.7 t80 -99.16 144.34 28.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.777 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 63.9 t-20 -96.81 60.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 16.1 m-85 -35.8 -48.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -43.62 -53.46 5.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.4 mtp85 -110.31 24.27 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASN . 5.3 mttt 36.23 67.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.777 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.96 165.79 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.787 ' HE2' HD21 ' A' ' 92' ' ' LEU . 6.9 t80 -115.18 132.1 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 76' ' ' THR . 4.0 t -119.28 106.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 89.3 t -101.52 93.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.7 t-20 -81.67 130.13 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.72 HG21 HG21 ' A' ' 62' ' ' THR . 49.9 mt -109.92 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.61 -139.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.8 pt-20 -113.57 169.69 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.88 141.14 52.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -130.82 141.61 50.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.627 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 91.29 45.45 4.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.665 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.7 mt -97.87 122.18 55.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.88 15.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.03 152.09 24.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.404 ' HG3' ' CB ' ' A' ' 98' ' ' SER . 9.7 mmt -113.3 -16.16 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -123.05 164.49 18.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLN . 3.1 pt-20 -102.78 -5.39 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -36.88 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -132.14 49.92 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.001 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.1 tpt 39.92 50.51 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.886 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.9 t -150.85 171.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.449 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.3 p -164.98 175.36 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 56.2 m-20 -122.33 73.01 38.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.4 Cg_endo -74.99 162.81 36.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.735 ' CB ' HG12 ' A' ' 64' ' ' VAL . 33.4 p90 -159.01 142.79 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 95' ' ' THR . 23.7 mt -93.11 157.68 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 47' ' ' TYR . 2.7 mtpm? -128.93 127.36 41.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.586 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.3 tmm? -99.81 149.72 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.414 ' N ' ' SD ' ' A' ' 50' ' ' MET . 99.9 m -155.21 134.78 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.483 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.2 mt -91.62 94.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.4 mm? -87.12 156.95 54.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -25.35 10.34 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.979 0.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.591 ' C ' ' O ' ' A' ' 54' ' ' PRO . 25.1 mt-10 -21.97 -66.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 71.77 6.41 5.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -74.16 -63.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 11.7 m-70 -68.36 97.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.654 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -109.32 122.42 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 50' ' ' MET . 16.0 m -135.17 148.81 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.07 152.94 48.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.72 HG21 HG21 ' A' ' 28' ' ' ILE . 38.2 p -90.65 138.59 31.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.2 126.15 17.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.735 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -72.32 134.58 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.864 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -81.23 165.59 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -109.67 126.84 54.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.886 ' HG2' HG21 ' A' ' 43' ' ' THR . 15.7 mttt 45.54 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -176.15 135.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -93.0 -5.45 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.74 88.35 16.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.864 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 141.13 26.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.499 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.97 88.92 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 8.4 m-85 -79.3 -42.4 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.5 t70 38.39 43.53 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 6.2 mm-40 -89.89 177.71 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 HG12 ' A' ' 25' ' ' VAL . 10.8 m -154.75 132.24 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 95.5 m-85 -122.46 119.85 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -97.32 138.39 34.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 52' ' ' ILE . 23.3 m-85 -133.92 116.11 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -91.29 168.39 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.09 -46.61 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.436 ' CG2' HD21 ' A' ' 90' ' ' LEU . 6.5 mt -52.0 113.98 4.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.94 138.35 23.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.489 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 30.2 t80 -45.13 -48.08 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.5 p -54.8 -25.45 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.544 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -79.79 -14.47 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 6.9 mm -63.88 -56.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -54.06 -18.63 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.61 -26.29 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -65.63 -169.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 178.17 135.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.812 ' CD1' HD21 ' A' ' 15' ' ' LEU . 15.9 mt -99.21 140.26 33.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -123.64 105.52 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 111' ' ' VAL . 26.0 m-85 -94.59 118.84 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 97' ' ' LEU . 21.7 m -115.79 117.42 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.8 mp -86.22 100.16 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.639 ' CD2' HG22 ' A' ' 95' ' ' THR . 0.6 OUTLIER -92.41 -171.11 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.641 ' OG ' HD11 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -150.1 95.97 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.6 ' CD2' HG21 ' A' ' 64' ' ' VAL . 84.2 t80 -88.42 160.69 17.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.28 178.62 10.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -73.88 -17.15 61.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -88.0 17.56 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.67 92.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.52 168.61 19.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.94 106.79 3.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.99 109.52 9.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.58 HG23 HG22 ' A' ' 95' ' ' THR . 56.3 mt -64.74 96.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' OG ' ' A' ' 98' ' ' SER . 97.1 mt -55.93 -37.6 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.63 177.91 40.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -131.96 145.92 51.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -144.54 143.47 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.3 tp -140.82 147.39 38.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 113' ' ' ILE . 0.6 OUTLIER -145.47 99.63 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.71 5.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 48.9 mt -66.3 -9.1 29.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.9 t -60.27 104.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.82 -41.05 2.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -58.59 149.59 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.511 ' O ' ' CE ' ' A' ' 125' ' ' MET . 10.0 mm-40 -125.64 128.24 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 15' ' ' LEU . 84.2 mt -112.37 5.39 18.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -56.14 -48.46 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.22 -56.4 18.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.92 -142.81 7.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 10.2 tttt -85.33 133.9 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.511 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 17.2 ptp -124.68 142.67 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -92.5 137.44 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.7 mtm -142.53 149.98 39.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -134.75 143.77 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.515 ' HG3' HD13 ' A' ' 113' ' ' ILE . 23.2 mmt-85 -132.12 146.72 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -89.53 140.63 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.668 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.3 mt -96.59 123.07 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.706 HD11 ' C ' ' A' ' 135' ' ' PRO . 2.1 pp -136.78 -172.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.5 t -86.16 64.66 8.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 138.42 -141.66 12.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.706 ' C ' HD11 ' A' ' 132' ' ' ILE . 18.3 Cg_endo -74.96 -63.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.2 p -141.54 -61.66 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m 60.23 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' C ' ' HG ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' HG ' ' C ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER 179.84 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.031 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 44.32 78.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.84 -158.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.69 -60.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.6 m -113.85 142.02 46.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.99 136.34 0.64 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.8 mm? -65.05 -89.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' ILE . . . -164.14 -173.27 32.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -115.9 160.59 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 12' ' ' PHE . 5.8 tp -122.95 136.43 54.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.674 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.2 m-85 -120.02 137.38 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -169.17 168.51 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.561 ' HB3' HD22 ' A' ' 126' ' ' LEU . 83.5 p -132.98 161.32 34.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mt -126.63 136.04 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -154.83 126.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 68.3 t80 -101.14 127.01 47.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 45.7 t-20 -71.18 94.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.6 m-85 -68.69 -36.03 77.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -49.24 76.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.4 mtp180 -109.87 21.64 16.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 37.01 69.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.1 178.41 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.0 t80 -121.66 135.36 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG12 HG23 ' A' ' 76' ' ' THR . 5.5 t -123.55 111.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 48.9 t -107.51 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.08 128.1 33.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.593 HG21 HG21 ' A' ' 62' ' ' THR . 27.3 mt -109.62 101.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.75 -135.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -113.05 177.53 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.35 127.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -118.28 130.18 55.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.837 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 107.1 48.16 0.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.837 HD23 ' C ' ' A' ' 33' ' ' GLY . 1.6 mt -107.77 113.72 61.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.95 12.85 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.42 158.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.42 ' CE ' HG12 ' A' ' 108' ' ' ILE . 12.7 mmt -113.9 -38.15 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.04 -177.7 6.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -121.87 -59.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -40.6 -42.75 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.5 OUTLIER -124.29 112.49 17.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.423 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -62.9 75.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.597 ' HA ' HD21 ' A' ' 69' ' ' LEU . 7.5 t -176.31 177.94 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.559 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 7.9 p -164.73 177.85 7.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.12 68.42 17.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.1 Cg_endo -75.03 153.7 41.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 24.7 p90 -157.54 139.18 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.567 ' CD1' HD13 ' A' ' 11' ' ' LEU . 61.7 mt -90.33 143.58 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.476 ' HD2' HD13 ' A' ' 97' ' ' LEU . 14.4 mttt -110.68 128.09 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.67 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.6 ttp -96.09 146.38 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.63 HG22 ' HA ' ' A' ' 56' ' ' LYS . 91.2 m -156.1 124.1 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 58' ' ' HIS . 21.1 mt -82.19 90.05 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.71 156.86 67.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.558 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.0 Cg_endo -75.03 -23.75 12.26 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.995 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.4 mt-10 -25.81 -61.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.63 ' HA ' HG22 ' A' ' 51' ' ' THR . 0.4 OUTLIER 67.87 8.99 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -79.17 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' HB2' HD12 ' A' ' 52' ' ' ILE . 17.2 m-70 -61.79 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 51' ' ' THR . 3.6 mttt -94.71 126.13 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.8 m -146.17 140.92 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -124.1 154.34 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.593 HG21 HG21 ' A' ' 28' ' ' ILE . 7.5 p -87.14 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -42.98 110.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.3 p -68.76 100.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.54 156.71 22.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -105.4 137.2 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.6 mtpt 45.78 86.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 13.8 t -177.79 105.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 43' ' ' THR . 2.5 mm? -66.53 -26.46 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.98 77.66 31.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.01 137.72 22.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.804 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.68 93.81 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.4 m-85 -81.56 -43.02 19.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 42.57 45.43 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -88.63 174.51 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.44 HG23 HG12 ' A' ' 25' ' ' VAL . 4.3 m -158.68 130.58 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -119.93 129.77 54.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 m -105.39 141.06 37.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -138.33 128.41 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -99.24 155.77 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.06 -62.34 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.578 HG21 HD11 ' A' ' 90' ' ' LEU . 4.3 mt -41.98 113.72 1.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.35 21.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 37.8 t80 -51.84 -19.0 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 p -80.59 -19.66 45.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.403 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 3.0 tt0 -90.42 -14.44 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.3 mm -52.83 -41.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.03 -7.07 19.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -113.12 16.17 19.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 82' ' ' ILE . 71.9 mt -112.78 -176.93 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 179.22 124.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.722 HD21 HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -88.09 130.69 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.526 ' HB2' HD23 ' A' ' 53' ' ' LEU . 26.9 t-80 -111.49 104.47 12.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -96.48 108.83 21.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 97' ' ' LEU . 65.3 m -101.75 121.84 42.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.775 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.3 mp -85.87 89.18 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 95' ' ' THR . 4.3 mp -95.33 -166.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 32.2 t -156.63 138.8 14.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -115.61 136.61 52.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 101' ' ' ARG . 5.8 m-20 -160.79 78.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER 57.06 160.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 104' ' ' ARG . 34.7 m-85 37.48 45.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 m 64.36 -79.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 58.65 100.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.58 104.34 16.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.42 86.13 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.5 mt -66.26 107.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.59 ' HB ' HG22 ' A' ' 96' ' ' ILE . 7.7 mt -74.96 -37.49 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.447 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -169.16 -179.67 41.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.63 138.4 47.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.572 HG11 HD23 ' A' ' 11' ' ' LEU . 10.8 t -131.96 150.74 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -148.64 143.5 26.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.661 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.7 tp -140.39 98.13 7.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.722 HD11 HD21 ' A' ' 92' ' ' LEU . 27.5 mt -87.5 15.15 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.55 54.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.5 -27.2 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.59 HD12 ' SD ' ' A' ' 125' ' ' MET . 6.7 mm -54.51 164.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.573 ' C ' HD13 ' A' ' 120' ' ' LEU . 10.2 mt-10 -147.56 102.71 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -104.38 41.93 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.58 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 99.8 p -64.94 69.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 120' ' ' LEU . 6.9 mt-10 65.53 9.14 5.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -117.49 115.96 3.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -83.27 120.37 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.59 ' SD ' HD12 ' A' ' 118' ' ' ILE . 18.5 ptp -112.84 143.04 44.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -92.03 140.29 29.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.714 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.1 mtm -141.83 155.87 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -135.73 166.24 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 -148.45 146.75 28.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -94.48 138.93 31.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.447 HG23 ' HA3' ' A' ' 109' ' ' GLY . 4.2 mt -100.6 118.75 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -128.0 -172.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.2 t -87.5 75.67 9.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.432 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 61.08 157.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.8 29.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.98 88.6 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.29 124.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.568 1.167 . . . . 0.0 111.026 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m 60.22 93.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.784 . . . . 0.0 110.02 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.26 165.73 18.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.22 137.56 6.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 p -136.19 170.96 15.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.81 -61.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.63 132.16 1.86 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.796 HD22 HG23 ' A' ' 108' ' ' ILE . 46.4 mt -95.2 -98.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -159.98 -168.11 21.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -124.18 162.95 22.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 12' ' ' PHE . 4.7 tp -124.65 139.36 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.716 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.7 m-85 -123.17 141.89 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' HD13 ' A' ' 126' ' ' LEU . 8.3 p90 -171.2 156.7 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' 125' ' ' MET . 0.2 OUTLIER -129.87 130.08 44.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.912 HD21 HD11 ' A' ' 92' ' ' LEU . 4.0 mt -90.94 144.79 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -152.97 139.38 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 50.7 t80 -117.96 126.72 52.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.576 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 13.1 t-20 -73.87 58.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 28.1 m-85 -35.81 -47.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -47.81 -48.16 30.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASN . 13.1 mtp180 -110.86 21.46 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER 36.25 71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.967 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -137.07 155.38 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 2.9 t80 -99.35 128.07 45.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.492 ' CG1' HG23 ' A' ' 76' ' ' THR . 15.1 t -124.46 112.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 59.9 t -109.02 94.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -79.31 131.35 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' LYS . 66.1 mt -107.43 101.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.79 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.2 pt-20 -114.1 172.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -125.54 137.48 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.92 133.8 46.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.678 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 105.21 41.75 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 33' ' ' GLY . 2.3 mt -101.06 114.53 65.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 127.41 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.38 144.57 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.5 mmt -102.5 -47.54 4.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.21 163.48 13.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.81 64.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -113.46 -67.26 1.01 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.456 ' OG ' HG22 ' A' ' 43' ' ' THR . 53.1 p -121.39 15.22 11.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.93 53.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.682 ' HA ' HD21 ' A' ' 69' ' ' LEU . 3.3 t -163.57 179.55 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.47 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 15.1 m -163.99 175.34 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -120.73 73.49 23.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.97 166.53 29.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.944 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 15.1 p90 -162.82 139.62 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.621 ' CD1' HD13 ' A' ' 11' ' ' LEU . 9.7 mt -91.78 135.48 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 93' ' ' HIS . 14.1 mttt -106.44 124.95 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.496 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.1 tmm? -96.24 150.08 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' HG3' ' A' ' 56' ' ' LYS . 86.5 m -156.28 129.23 7.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.552 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.4 mt -86.44 90.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.77 157.11 67.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.56 13.8 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.536 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -28.0 -67.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.619 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER 75.14 3.91 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 10.4 mmtt -70.25 -85.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 2.7 m-70 -50.99 93.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' LYS . 3.8 mtpt -105.93 126.19 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 50' ' ' MET . 9.4 m -131.7 147.84 32.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 155.17 46.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -88.37 160.51 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -58.07 127.2 30.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 64' ' ' VAL . 10.9 t -76.99 92.1 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 1.6 mt -62.58 163.13 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -116.14 133.13 56.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 0.3 OUTLIER 48.27 84.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 68' ' ' THR . 5.8 t -176.64 104.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 43' ' ' THR . 2.2 mm? -67.09 -29.78 69.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -117.04 80.77 11.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CB ' HD13 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.99 141.23 26.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.507 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.42 93.69 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' ASP . 2.4 m-85 -81.18 -44.58 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER 37.78 44.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.32 178.9 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.492 HG23 ' CG1' ' A' ' 25' ' ' VAL . 18.5 m -143.34 149.81 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -140.85 139.58 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.596 HG22 ' CD2' ' A' ' 80' ' ' TYR . 8.8 m -124.6 127.78 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.552 ' CD2' HD11 ' A' ' 52' ' ' ILE . 73.0 m-85 -112.05 -12.45 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.967 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 22.6 m-85 44.43 -171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 82' ' ' ILE . . . 71.67 -55.85 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.909 HD12 ' O ' ' A' ' 80' ' ' TYR . 3.5 mp -33.08 113.39 0.39 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.565 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.03 18.81 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.596 ' H ' HG22 ' A' ' 82' ' ' ILE . 32.1 t80 68.31 -57.04 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.5 p -55.82 -17.35 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.06 -4.01 56.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.738 ' CD1' HG21 ' A' ' 82' ' ' ILE . 5.3 mm -63.38 -52.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.7 -37.76 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -73.48 -30.95 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -64.43 -170.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 175.29 120.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.912 HD11 HD21 ' A' ' 15' ' ' LEU . 10.8 mt -84.42 145.85 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' HB2' HD23 ' A' ' 53' ' ' LEU . 84.4 t60 -128.08 104.44 7.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.711 ' CD2' HD21 ' A' ' 11' ' ' LEU . 24.0 m-85 -94.78 119.53 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.7 m -115.71 100.16 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.829 HD13 HG12 ' A' ' 131' ' ' ILE . 4.5 mp -78.38 83.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.944 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.7 pt? -115.44 170.58 8.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.1 t -116.22 135.86 53.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 100' ' ' ASP . 19.8 t80 -76.37 144.96 39.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.591 ' O ' ' CE1' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -123.68 176.38 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.48 36.81 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -133.83 -64.28 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.69 -51.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 165.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -127.07 116.74 21.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -88.6 82.81 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.523 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 23.9 mt -79.62 137.16 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.796 HG23 HD22 ' A' ' 8' ' ' LEU . 8.1 mt -91.1 -40.62 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.82 169.62 42.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -121.98 144.96 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.548 HG11 HD23 ' A' ' 11' ' ' LEU . 6.6 t -134.37 153.29 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.6 tp -149.39 139.21 21.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.616 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.5 OUTLIER -136.98 99.57 10.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 87' ' ' ILE . 15.7 mt -74.25 -1.8 22.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.5 t -62.17 95.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.89 -32.09 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -52.77 131.76 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 8.1 pt-20 -119.49 114.03 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' GLY . 1.6 mt -100.64 2.07 41.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 p -40.34 -34.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.22 -47.43 57.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 156.17 -137.73 5.65 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -88.74 125.79 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.413 ' C ' ' HG ' ' A' ' 14' ' ' SER . 14.9 ptp -118.3 138.55 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -84.2 139.25 32.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.2 mtm -141.75 154.82 45.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.52 161.56 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.413 ' CG ' ' CD1' ' A' ' 113' ' ' ILE . 0.0 OUTLIER -148.47 146.63 28.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.04 146.55 24.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.829 HG12 HD13 ' A' ' 96' ' ' ILE . 5.3 mt -104.33 123.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.529 ' HA ' HD12 ' A' ' 8' ' ' LEU . 2.0 pp -137.1 -171.35 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.4 t -92.62 78.2 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 61.13 153.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 81.36 2.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.35 163.33 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.6 t -120.08 84.16 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.955 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -166.5 129.33 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t 60.66 149.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.62 93.31 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.63 139.92 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -75.19 142.07 43.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.38 144.35 1.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD13 ' HA3' ' A' ' 109' ' ' GLY . 6.9 mt -100.9 -39.02 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.737 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.47 167.44 11.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.525 HG22 ' CE1' ' A' ' 12' ' ' PHE . 6.3 m -113.5 143.28 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 94' ' ' PHE . 8.9 tp -105.85 140.69 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.668 ' H ' HD12 ' A' ' 11' ' ' LEU . 20.2 m-85 -120.52 137.99 54.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' O ' HD13 ' A' ' 126' ' ' LEU . 7.0 p90 -167.5 168.67 12.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.944 ' HB3' HD22 ' A' ' 126' ' ' LEU . 54.7 p -143.89 118.99 10.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.44 147.86 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -159.09 121.83 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 65.9 t80 -100.94 121.19 41.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.488 ' CB ' ' HB3' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -68.66 86.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.74 -49.21 75.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.56 -60.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.8 mtp85 -99.71 22.58 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.6 mttt 35.83 67.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 18' ' ' ASN . . . -128.8 171.5 12.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.671 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.3 t80 -118.5 118.91 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG12 HG23 ' A' ' 76' ' ' THR . 3.1 t -110.16 129.72 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.716 HG21 HD21 ' A' ' 92' ' ' LEU . 94.5 t -119.91 91.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 7.1 t-20 -77.91 122.35 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.585 HD11 ' HG3' ' A' ' 50' ' ' MET . 6.8 mt -104.22 101.78 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.67 -139.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.508 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -113.67 177.37 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.07 133.55 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 137.19 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.579 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 84.59 70.61 1.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.579 HD23 ' C ' ' A' ' 33' ' ' GLY . 10.1 mt -113.07 126.68 27.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.09 9.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.66 141.47 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mmt -81.49 -31.95 32.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.46 164.94 15.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.82 -56.62 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -39.95 -55.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 m -78.92 -42.28 27.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.5 tpt 67.21 46.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.647 HG21 ' HB3' ' A' ' 67' ' ' LYS . 12.8 t -169.08 169.78 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.544 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.9 p -165.68 177.31 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -116.72 73.64 6.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 136.85 20.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CB ' HG12 ' A' ' 64' ' ' VAL . 43.1 p90 -135.8 140.33 44.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.727 ' CD1' HD13 ' A' ' 11' ' ' LEU . 9.8 mt -91.85 131.23 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -103.47 119.66 39.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.585 ' HG3' HD11 ' A' ' 28' ' ' ILE . 4.4 tmm? -96.71 149.07 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.606 HG21 ' HG3' ' A' ' 56' ' ' LYS . 82.6 m -156.28 128.77 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 79' ' ' PHE . 2.6 mt -80.72 91.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.735 HD12 ' HB2' ' A' ' 93' ' ' HIS . 28.6 mt -87.34 158.43 52.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -19.83 17.17 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.987 -0.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -27.45 -66.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.606 ' HG3' HG21 ' A' ' 51' ' ' THR . 28.0 tttt 77.78 0.89 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -68.22 -85.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -51.05 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.601 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HG2' HG23 ' A' ' 51' ' ' THR . 9.6 mtpm? -104.33 118.12 35.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 50' ' ' MET . 16.2 m -130.55 148.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -128.51 149.97 50.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.404 HG21 HG21 ' A' ' 28' ' ' ILE . 33.2 p -89.09 133.12 34.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.18 124.97 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.704 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.75 129.71 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 71' ' ' PRO . 3.9 mm? -71.79 174.21 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -115.42 100.83 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.647 ' HB3' HG21 ' A' ' 43' ' ' THR . 24.9 mttt 57.43 98.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 1.4 t 175.84 114.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.74 -1.66 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -140.36 71.74 32.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.757 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.96 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -161.23 98.42 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.84 -45.54 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.33 43.28 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.5 mt-10 -85.73 176.49 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.404 HG23 HG12 ' A' ' 25' ' ' VAL . 10.9 m -153.25 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -115.46 138.19 51.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 2.1 m -111.6 153.81 25.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 52' ' ' ILE . 45.4 m-85 -151.89 102.58 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -80.09 153.6 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.53 -60.09 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.515 HG21 HD11 ' A' ' 90' ' ' LEU . 4.1 mt -43.1 112.04 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.85 21.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 27.8 t80 -51.61 -19.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.4 p -79.21 -19.07 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -91.14 -15.57 29.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.8 mm -52.17 -41.65 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -66.06 -9.55 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -110.19 10.66 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.515 HD11 HG21 ' A' ' 82' ' ' ILE . 61.9 mt -108.92 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 178.09 126.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.716 HD21 HG21 ' A' ' 26' ' ' VAL . 10.4 mt -87.17 121.79 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.735 ' HB2' HD12 ' A' ' 53' ' ' LEU . 10.1 t-80 -98.22 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.075 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 1.057 ' CB ' HG13 ' A' ' 111' ' ' VAL . 12.1 m-85 -91.04 132.12 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.679 HG23 ' CG ' ' A' ' 110' ' ' GLU . 9.4 m -135.18 116.09 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.3 mp -92.82 95.97 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 95' ' ' THR . 2.7 mp -99.31 -164.66 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.53 110.64 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -89.94 144.82 25.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 101' ' ' ARG . 6.0 m-20 -133.36 62.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.522 ' C ' ' O ' ' A' ' 100' ' ' ASP . 0.8 OUTLIER 28.34 72.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.454 ' CG ' ' O ' ' A' ' 101' ' ' ARG . 2.6 m-85 -175.98 -84.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m 179.8 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -47.24 98.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.68 97.44 10.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.06 100.19 12.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.37 109.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.602 ' HB ' HG22 ' A' ' 96' ' ' ILE . 88.6 mt -74.73 -45.39 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.597 ' HA3' HD13 ' A' ' 8' ' ' LEU . . . -159.93 -167.36 20.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.679 ' CG ' HG23 ' A' ' 95' ' ' THR . 3.7 mt-10 -157.15 154.55 29.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.057 HG13 ' CB ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -155.51 153.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 113' ' ' ILE . 10.6 tp -141.17 153.24 45.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.702 HG23 ' O ' ' A' ' 113' ' ' ILE . 3.9 tp -145.81 95.32 4.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.89 11.24 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.62 57.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.56 -23.98 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.564 1.165 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.04 137.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 6.6 pt-20 -122.18 115.37 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -108.52 8.57 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -25.49 48.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.28 -67.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . -179.08 156.78 19.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' GLY . 1.4 ttpt -39.75 125.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.443 ' HE1' ' O ' ' A' ' 119' ' ' GLU . 10.3 ptp -119.49 135.25 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -75.56 143.98 42.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.625 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.5 OUTLIER -143.05 149.38 38.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.27 133.94 37.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.573 ' CG ' HD13 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -124.06 155.29 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 130' ' ' GLU . 3.8 pt-20 -98.2 126.55 43.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 96' ' ' ILE . 3.5 mt -77.6 125.76 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -141.77 -172.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.3 t -88.89 73.61 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.728 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 73.02 158.18 4.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -175.2 2.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.56 111.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.06 -58.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.28 96.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -178.11 148.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.47 126.75 1.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -134.91 170.8 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.032 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 53.74 175.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.87 129.67 9.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.516 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.5 mm? -63.53 -86.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.59 -169.34 26.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 11' ' ' LEU . 91.4 m -118.3 169.91 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 0.765 . . . . 0.0 110.358 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD23 HG11 ' A' ' 111' ' ' VAL . 5.9 tp -132.13 144.65 50.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.621 ' H ' HD12 ' A' ' 11' ' ' LEU . 17.1 m-85 -127.82 135.74 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 127' ' ' MET . 4.7 p90 -161.54 169.34 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.404 ' HB3' ' HG ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -146.72 117.77 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 92' ' ' LEU . 3.0 mt -81.73 147.28 29.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -155.93 113.29 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -92.02 132.67 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.527 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 27.0 t30 -81.13 98.19 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.07 -33.03 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.19 -46.12 91.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.9 mtp85 -113.75 22.59 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.8 mptt 36.02 69.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.9 178.28 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.605 ' HZ ' HD22 ' A' ' 15' ' ' LEU . 3.9 t80 -128.82 119.23 24.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.61 ' CG1' HG23 ' A' ' 76' ' ' THR . 4.4 t -108.06 112.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.57 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 66.1 t -104.26 90.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -77.56 138.51 39.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' LYS . 22.1 mt -117.13 99.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.4 ttpt -61.67 -138.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.0 pt-20 -113.02 168.9 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -123.06 144.27 49.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.36 130.98 41.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.78 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 108.16 48.53 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 33' ' ' GLY . 3.1 mt -108.17 113.13 60.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 131.8 14.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.9 161.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 mmt -114.72 -33.06 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.81 171.71 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -116.92 2.83 12.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.87 -46.1 12.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.8 145.02 34.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.9 65.91 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.718 HG21 ' HG2' ' A' ' 67' ' ' LYS . 10.8 t -159.02 164.52 35.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.486 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.7 m -164.77 175.81 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.8 p30 -125.82 67.27 59.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.62 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.0 160.67 39.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.779 ' CB ' HG12 ' A' ' 64' ' ' VAL . 24.4 p90 -156.07 141.93 18.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.59 ' CD1' HD13 ' A' ' 11' ' ' LEU . 36.2 mt -91.39 144.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 2.2 mttm -114.16 128.47 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.644 ' SD ' HD22 ' A' ' 92' ' ' LEU . 3.5 tmm? -96.48 150.5 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.535 HG22 HD22 ' A' ' 53' ' ' LEU . 32.5 m -157.96 129.7 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.384 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.486 HG23 ' HG ' ' A' ' 90' ' ' LEU . 3.1 mt -87.02 89.54 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.535 HD22 HG22 ' A' ' 51' ' ' THR . 3.3 mm? -84.65 156.08 61.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -26.59 9.11 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.018 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.575 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -22.35 -70.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.418 ' HG3' HG21 ' A' ' 51' ' ' THR . 4.2 tttt 79.55 5.97 2.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.3 mmtt -71.01 -81.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -55.65 88.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LYS . 25.4 mtpt -101.07 117.46 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.8 m -131.31 146.79 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -127.98 166.2 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 p -107.0 136.82 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.96 135.47 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.779 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -83.33 129.14 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.858 HD23 ' CB ' ' A' ' 71' ' ' PRO . 4.0 mm? -67.86 172.64 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -115.93 123.93 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.718 ' HG2' HG21 ' A' ' 43' ' ' THR . 17.5 mttt 46.14 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 43' ' ' THR . 1.8 t -173.07 153.29 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.78 -23.65 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.78 85.96 45.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.858 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.06 142.14 27.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -123.88 90.84 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 5.7 m-85 -79.39 -42.5 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.1 t0 38.59 43.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -176.12 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.61 HG23 ' CG1' ' A' ' 25' ' ' VAL . 2.9 m -158.57 126.84 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -123.86 115.62 21.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -88.01 156.81 19.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 82' ' ' ILE . 36.0 m-85 -151.42 112.48 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -93.46 153.11 18.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.58 -39.53 2.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.699 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.4 mp -51.48 114.61 5.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.98 21.17 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.529 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 22.3 t80 65.97 -57.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . 58.9 p -54.92 -18.6 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.05 -8.97 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.699 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.6 mm -61.08 -52.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -49.93 -33.1 16.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.05 -28.29 43.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -66.78 -171.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 174.47 118.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.83 ' CD1' HD21 ' A' ' 15' ' ' LEU . 9.9 mt -83.39 141.6 31.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.45 ' HB2' HD23 ' A' ' 53' ' ' LEU . 84.2 t60 -122.55 105.34 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.642 ' CD2' HD21 ' A' ' 11' ' ' LEU . 27.5 m-85 -96.16 107.7 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -101.54 108.43 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.5 mp -80.02 85.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.687 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -120.71 167.22 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 46.6 t -115.37 146.86 41.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -92.6 159.0 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.18 151.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.55 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 mmp_? -39.25 -62.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 19.1 m-85 -150.54 58.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 m -87.08 13.95 8.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 56.71 35.87 26.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 59.74 92.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -91.95 81.41 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.495 HG12 ' CB ' ' A' ' 97' ' ' LEU . 16.6 mt -79.05 147.16 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mt -103.49 -45.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.402 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -164.93 173.82 40.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -127.55 150.05 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.693 HG11 HD23 ' A' ' 11' ' ' LEU . 2.5 t -138.52 146.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 tp -141.33 138.8 33.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.694 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -133.9 95.67 17.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.2 5.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.21 2.73 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.8 t -61.56 85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.94 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 127.38 -32.82 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -53.29 137.41 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 5.9 pt-20 -124.61 110.73 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -104.19 19.44 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.8 m -66.3 -42.75 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -65.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.88 -146.17 4.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.35 138.05 32.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 125' ' ' MET . 9.3 ptp -133.89 129.84 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 127' ' ' MET . 0.4 OUTLIER -88.51 158.53 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mtm -154.93 160.71 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.73 160.98 36.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.01 148.11 33.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.63 144.98 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.576 HG12 HD13 ' A' ' 96' ' ' ILE . 3.3 mt -105.24 114.57 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -127.5 -172.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t -87.25 73.48 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.516 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 64.99 156.65 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 96.59 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.2 t -82.88 94.57 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.1 t -172.64 116.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 64.47 83.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -57.13 100.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.43 -103.55 3.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 t -129.0 140.19 51.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -141.61 -66.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.33 147.3 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.851 HD22 HG23 ' A' ' 108' ' ' ILE . 91.0 mt -93.59 -81.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.797 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . -173.71 -169.29 35.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.4 HG22 ' CE1' ' A' ' 12' ' ' PHE . 4.7 m -126.64 161.22 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 12' ' ' PHE . 10.2 tp -119.56 143.07 47.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.659 ' H ' HD12 ' A' ' 11' ' ' LEU . 16.6 m-85 -126.89 141.13 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.7 p90 -170.33 171.28 6.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.39 117.35 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD23 HG22 ' A' ' 26' ' ' VAL . 2.5 mt -79.97 141.3 36.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -151.6 118.3 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 66.8 t80 -98.93 130.82 45.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.661 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 23.7 t-20 -81.18 89.46 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 2.0 m-85 -60.89 -46.36 90.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 -49.97 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.4 mtp180 -109.63 23.15 14.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.3 mttt 35.01 69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -133.56 171.12 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.668 ' CZ ' HD11 ' A' ' 115' ' ' LEU . 8.4 t80 -120.93 126.09 49.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.766 HG12 HG23 ' A' ' 76' ' ' THR . 2.4 t -119.77 114.84 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.754 HG22 HD23 ' A' ' 15' ' ' LEU . 72.4 t -108.59 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.1 t-20 -78.92 126.78 31.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' LYS . 7.8 mt -103.4 103.01 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.82 -138.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 11.7 pt-20 -116.03 171.62 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.26 141.78 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.11 139.86 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.678 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 83.54 70.74 1.34 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 33' ' ' GLY . 10.4 mt -119.01 118.27 33.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.59 10.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.97 158.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.473 ' CE ' HG13 ' A' ' 108' ' ' ILE . 7.8 mmt -116.29 -44.33 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -106.01 154.55 20.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -100.18 34.55 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -80.56 -78.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.88 40.18 3.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.8 tpt 43.83 63.2 1.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 67' ' ' LYS . 14.6 t -174.74 152.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.528 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -142.55 178.07 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -116.76 74.4 6.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.04 143.85 29.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.956 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 10.5 p90 -148.04 139.77 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.606 ' CD1' HD13 ' A' ' 11' ' ' LEU . 12.0 mt -92.06 136.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 24.9 mttt -101.96 125.32 48.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.626 ' HB3' HG23 ' A' ' 60' ' ' VAL . 1.9 ttp -96.85 142.93 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 56' ' ' LYS . 34.5 m -154.84 132.55 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.82 HD12 ' HB2' ' A' ' 58' ' ' HIS . 80.9 mt -90.19 104.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.2 mm? -90.55 156.11 45.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.672 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -74.96 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.672 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -8.64 -70.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 51' ' ' THR . 5.7 tttt 91.0 -5.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -57.53 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.82 ' HB2' HD12 ' A' ' 52' ' ' ILE . 8.3 m-70 -39.69 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 14.1 mtpt -119.55 121.62 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.626 HG23 ' HB3' ' A' ' 50' ' ' MET . 11.7 m -131.04 152.86 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -132.32 168.0 18.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -85.63 177.48 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' VAL . 1.9 ttt-85 -72.66 0.23 11.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 47' ' ' TYR . 46.2 t 52.44 100.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.3 mm? -62.18 161.11 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -114.58 105.25 12.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 68' ' ' THR . 55.4 mttt 58.84 107.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.65 113.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.6 -5.43 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -142.6 69.57 20.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.796 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 165.13 31.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -139.22 104.07 4.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -84.94 -49.46 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 43.27 42.03 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -88.75 171.33 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.766 HG23 HG12 ' A' ' 25' ' ' VAL . 4.3 m -146.39 133.48 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -125.58 121.88 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 m -97.92 152.14 19.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -144.4 134.16 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 78.8 m-85 -114.84 155.6 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.48 -9.58 45.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.56 1.163 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 87' ' ' ILE . 4.8 mt -80.32 118.61 73.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 16.77 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.638 ' H ' HG22 ' A' ' 82' ' ' ILE . 16.2 t80 66.87 -59.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' PRO . 73.7 p -54.32 -18.01 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.455 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.58 -18.65 34.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' ILE . 12.8 mm -51.03 -43.16 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -63.49 -11.04 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -108.0 9.46 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD12 HD13 ' A' ' 87' ' ' ILE . 78.5 mt -110.46 -173.62 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . . . 179.84 149.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.626 ' CD1' HD21 ' A' ' 15' ' ' LEU . 12.5 mt -113.84 141.28 47.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -118.41 106.15 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.565 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CD2' HD21 ' A' ' 11' ' ' LEU . 24.8 m-85 -94.93 100.63 12.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.562 HG23 ' HG3' ' A' ' 110' ' ' GLU . 96.2 m -100.1 107.46 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.7 HD13 HG12 ' A' ' 131' ' ' ILE . 3.8 mp -82.14 84.12 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.956 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -117.24 171.35 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -115.06 141.65 47.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 4.9 t80 -107.88 129.14 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 101' ' ' ARG . 1.1 m-20 -143.82 56.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER 41.92 -164.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 104' ' ' ARG . 2.1 m-85 53.82 19.83 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ARG . 12.2 m 70.87 -59.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' SER . 3.0 ptm180 -38.64 143.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.459 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.93 114.41 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.451 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.1 OUTLIER -70.35 108.18 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 32.2 mt -83.46 138.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.851 HG23 HD22 ' A' ' 8' ' ' LEU . 5.8 mt -97.81 -47.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.404 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -163.66 176.77 39.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 95' ' ' THR . 2.0 mp0 -132.16 146.43 52.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -137.26 152.97 28.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.0 tp -145.81 143.43 29.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -139.68 97.79 8.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 131.7 14.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 33.3 mt -87.99 18.03 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.1 t -72.55 58.4 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 149.23 -24.47 1.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 120' ' ' LEU . 2.3 mm -50.87 135.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.6 100.86 6.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.457 HD11 ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -91.06 3.08 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 8.7 t -62.64 -47.08 85.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.81 -55.62 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 167.61 156.2 9.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 113.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.7 ptp -101.54 150.44 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.699 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -98.31 137.29 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.699 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.7 mtm -142.35 152.98 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -134.08 166.59 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -151.18 146.4 26.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -89.31 139.06 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.7 HG12 HD13 ' A' ' 96' ' ' ILE . 5.6 mt -98.98 120.03 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.3 pp -132.11 -172.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 t -93.22 76.95 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.489 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 66.94 152.62 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 56.45 4.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -57.73 127.89 34.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 m 64.88 112.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.934 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.31 87.64 5.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -63.24 162.02 12.74 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.08 -151.0 19.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.157 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -142.16 -53.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -168.37 -51.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.82 127.23 2.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 108' ' ' ILE . 36.9 mt -81.39 -85.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.478 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -165.96 -163.37 19.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.44 ' N ' HD12 ' A' ' 131' ' ' ILE . 74.0 m -126.39 162.64 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.975 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -130.5 122.39 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.975 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.7 m-85 -106.85 138.86 42.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' O ' HD13 ' A' ' 126' ' ' LEU . 11.0 p90 -167.13 169.21 12.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.737 ' HB3' HD22 ' A' ' 126' ' ' LEU . 80.9 p -144.94 130.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -88.04 148.54 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -159.45 123.98 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 57.7 t80 -104.13 133.37 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.794 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 47.7 t-20 -81.85 75.07 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 3.2 m-85 -48.34 -51.16 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.1 mtp180 -101.26 24.39 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.7 mttt 34.68 71.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.794 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -139.38 175.04 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CB ' HD13 ' A' ' 82' ' ' ILE . 10.0 t80 -121.15 145.15 48.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.71 ' CG1' HG23 ' A' ' 76' ' ' THR . 6.7 t -135.58 120.64 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.613 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 73.9 t -109.55 94.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -81.52 116.32 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.857 HG21 HG21 ' A' ' 62' ' ' THR . 55.4 mt -99.17 102.44 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -61.42 -136.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.57 174.9 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.63 123.03 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.07 138.39 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 93.39 50.02 2.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 9.5 mt -99.88 118.69 61.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.15 11.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.554 1.818 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.03 150.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.6 mmt -107.86 -42.52 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.66 175.48 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -119.52 42.63 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -87.0 -77.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.68 48.84 2.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.422 ' O ' ' CG ' ' A' ' 42' ' ' MET . 0.0 OUTLIER 40.33 50.75 2.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.899 HG21 ' HG2' ' A' ' 67' ' ' LYS . 8.7 t -155.83 173.35 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.516 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.4 p -165.24 176.69 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -120.61 71.16 18.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 168.33 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 18.1 p90 -173.33 137.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -91.12 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.858 ' HD2' HD13 ' A' ' 97' ' ' LEU . 10.2 mttt -107.52 126.03 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.853 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.3 ttp -96.19 130.82 43.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.659 HG21 ' CD ' ' A' ' 56' ' ' LYS . 60.9 m -140.27 128.36 22.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 52' ' ' ILE . 60.6 mt -85.27 81.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 ' HG2' ' A' ' 56' ' ' LYS . 2.1 mm? -65.84 155.54 86.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 -39.61 1.41 Allowed 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.0 0.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -56.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.659 ' CD ' HG21 ' A' ' 51' ' ' THR . 11.7 mtmt -60.79 -8.41 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 56' ' ' LYS . 5.1 mmtt -28.66 -77.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -60.05 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -99.3 131.3 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.853 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.5 m -150.94 143.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.2 160.91 28.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.857 HG21 HG21 ' A' ' 28' ' ' ILE . 37.9 p -93.93 132.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -37.4 115.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.1 p -75.5 102.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.5 mt -64.36 157.9 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -105.91 144.08 33.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.899 ' HG2' HG21 ' A' ' 43' ' ' THR . 3.4 mttm 42.48 82.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 9.1 t -176.18 119.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.6 mt -79.21 -26.95 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -121.37 78.58 35.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.555 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.95 140.24 25.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.503 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.36 96.97 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.9 m-85 -82.77 -43.73 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PHE . 2.3 m-20 39.19 45.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.8 -179.88 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.71 HG23 ' CG1' ' A' ' 25' ' ' VAL . 3.0 m -158.66 129.98 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 68.7 m-85 -121.25 125.16 46.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -100.89 141.32 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 82' ' ' ILE . 19.4 m-85 -139.6 121.4 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -99.88 128.01 46.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.47 -32.87 1.82 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.746 HG21 ' CD1' ' A' ' 87' ' ' ILE . 1.7 mp -61.04 116.61 19.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.564 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 17.55 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 24.9 t80 67.75 -57.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' PRO . 81.8 p -56.04 -16.92 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -90.0 -10.31 45.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.746 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.0 mm -58.47 -39.29 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.82 -9.42 28.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.13 12.25 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 79.4 mt -110.94 -175.54 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -178.45 121.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.578 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.9 mt -84.25 124.38 31.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 76.2 t60 -105.49 105.42 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.418 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 26.5 m-85 -94.02 102.23 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 97' ' ' LEU . 32.2 m -98.16 118.33 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.8 mp -87.56 85.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.858 HD13 ' HD2' ' A' ' 49' ' ' LYS . 3.8 mp -97.68 -165.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.4 t -152.95 149.0 27.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -74.4 105.38 5.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -103.61 120.67 41.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.522 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -72.93 56.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 101' ' ' ARG . 42.8 m-85 -166.83 29.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m 73.56 -57.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -44.9 168.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -135.49 124.54 24.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.46 102.56 13.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.41 122.47 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.552 HG23 HD22 ' A' ' 8' ' ' LEU . 9.6 mt -88.71 -44.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.09 167.08 39.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -123.16 130.8 53.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.3 t -126.15 145.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tp -140.85 139.48 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.672 HG23 ' O ' ' A' ' 113' ' ' ILE . 2.6 tp -137.43 97.16 10.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.65 18.88 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.24 58.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 150.16 -20.19 1.08 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.44 ' CG2' HD11 ' A' ' 120' ' ' LEU . 2.6 mm -51.74 144.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.784 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -134.68 104.73 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.446 HD22 ' H ' ' A' ' 120' ' ' LEU . 0.3 OUTLIER -96.71 11.56 35.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 10.0 t -56.39 -57.24 13.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -51.88 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.66 -145.13 8.8 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.417 ' NZ ' ' OG ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -91.95 122.03 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 18.4 ptp -107.03 144.86 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -92.75 138.31 31.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.9 mtm -143.59 145.7 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.53 149.27 49.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 113' ' ' ILE . 14.9 mmt180 -139.28 144.11 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 147.37 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 9' ' ' GLY . 8.0 mt -106.81 122.56 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.491 ' CA ' HD12 ' A' ' 8' ' ' LEU . 2.1 pp -136.62 -171.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.9 t -90.23 80.7 6.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.71 156.04 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 82.54 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.81 83.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.1 t -46.32 159.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -115.19 142.82 46.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 0.811 . . . . 0.0 109.984 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.99 106.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.72 -110.63 3.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.91 161.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.6 101.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.18 142.71 9.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 108' ' ' ILE . 79.7 mt -100.96 -70.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 175.68 -170.93 44.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 11' ' ' LEU . 55.2 m -123.6 170.59 10.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.94 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.99 121.69 18.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.94 ' N ' HD22 ' A' ' 11' ' ' LEU . 18.1 m-85 -105.37 141.67 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CD1' HD13 ' A' ' 11' ' ' LEU . 8.4 p90 -168.16 174.98 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.772 ' HB3' HD22 ' A' ' 126' ' ' LEU . 8.0 p -151.5 122.07 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -80.14 152.7 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.1 tt0 -159.74 130.98 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 29.4 t80 -101.41 130.07 47.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.697 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 11.1 t30 -79.49 60.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -41.18 -48.18 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -41.61 -59.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' LYS . 70.8 mtt180 -102.64 25.31 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 38.44 63.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -132.99 177.37 7.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.676 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 5.8 t80 -117.67 142.16 47.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.671 HG12 HG23 ' A' ' 76' ' ' THR . 11.9 t -130.98 121.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.676 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 89.3 t -114.56 95.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.0 t-20 -82.95 124.67 30.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.424 HD12 ' HE2' ' A' ' 77' ' ' PHE . 76.7 mt -105.97 103.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -137.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.486 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.4 OUTLIER -114.63 176.21 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.98 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 140.62 44.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.591 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 84.52 72.38 1.29 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.591 HD23 ' C ' ' A' ' 33' ' ' GLY . 9.9 mt -116.21 119.16 37.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.66 144.3 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 70.1 mmm -118.91 -34.69 3.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -98.23 168.91 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.04 64.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -116.3 -69.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.11 38.59 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.55 35.89 26.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.056 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 9.8 t -132.1 -178.77 5.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.536 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -165.26 177.14 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.527 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 1.4 m-20 -126.37 64.01 53.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 156.95 43.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.085 ' CE2' HD21 ' A' ' 97' ' ' LEU . 51.3 p90 -158.51 145.05 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.414 HD13 ' HG ' ' A' ' 11' ' ' LEU . 18.5 mt -91.91 146.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 0.4 OUTLIER -116.46 128.79 55.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' A' ' 51' ' ' THR . 2.9 tmm? -96.0 146.58 24.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.583 HG23 ' HG2' ' A' ' 59' ' ' LYS . 87.5 m -156.79 131.44 8.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.477 HG23 ' HG ' ' A' ' 90' ' ' LEU . 3.7 mt -89.87 103.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.56 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 22.5 mt -90.27 158.15 44.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -42.29 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.978 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.621 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -14.61 -65.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 7.1 tttt 81.74 5.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.33 -74.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.612 ' CE1' HD11 ' A' ' 82' ' ' ILE . 35.4 m170 -50.05 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 51' ' ' THR . 10.0 mtpt -115.87 117.61 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.7 m -134.63 163.03 37.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -149.52 165.96 30.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.466 ' HG1' ' HD1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -108.48 142.13 39.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.62 104.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 45' ' ' ASP . 1.4 p -58.18 101.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 71' ' ' PRO . 2.6 mt -53.57 149.15 8.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' LYS . 21.2 mmt-85 -101.57 137.72 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 28.8 mtmt 43.9 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 3.9 t -178.24 112.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.99 -18.43 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -131.58 74.83 77.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.492 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 139.82 24.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -120.71 98.55 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.466 ' HD1' ' HG1' ' A' ' 62' ' ' THR . 8.4 m-85 -80.15 -47.46 14.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.75 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -90.21 170.43 10.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.671 HG23 HG12 ' A' ' 25' ' ' VAL . 3.2 m -148.44 126.15 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.424 ' HE2' HD12 ' A' ' 28' ' ' ILE . 71.9 m-85 -114.56 119.63 37.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.543 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -90.18 155.99 18.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 78' ' ' THR . 42.0 m-85 -152.45 128.4 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 67.6 m-85 -107.6 161.36 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.91 -38.07 3.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.612 HD11 ' CE1' ' A' ' 58' ' ' HIS . 3.1 mt -61.77 114.51 11.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.2 Cg_endo -75.06 136.13 19.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 23.5 t80 -49.15 -25.76 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.5 p -74.51 -21.43 59.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -86.95 -10.76 52.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 8.4 mm -60.74 -61.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -48.55 -33.58 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -81.42 -25.12 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -67.76 -170.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 175.26 122.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.595 HD21 ' HE2' ' A' ' 24' ' ' PHE . 10.5 mt -87.29 144.76 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 84.2 t60 -126.43 104.25 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.602 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 111' ' ' VAL . 29.3 m-85 -94.42 108.8 20.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 ' HG3' ' A' ' 110' ' ' GLU . 93.1 m -100.89 105.42 16.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.654 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.9 mp -78.18 82.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.085 HD21 ' CE2' ' A' ' 47' ' ' TYR . 1.6 pt? -117.36 169.79 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -127.11 154.64 44.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.619 ' CE1' ' O ' ' A' ' 100' ' ' ASP . 4.0 t80 -88.52 127.47 35.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.619 ' O ' ' CE1' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -111.82 -163.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -99.53 172.48 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.519 ' O ' ' CB ' ' A' ' 103' ' ' SER . 5.4 m-30 55.57 19.6 3.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 102' ' ' PHE . 1.7 t 88.32 -38.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER -38.52 139.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.72 126.19 47.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.74 100.87 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.516 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.4 mt -79.27 138.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.542 HG23 HD22 ' A' ' 8' ' ' LEU . 6.1 mt -96.69 -45.1 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.55 167.72 40.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.423 ' HG3' HG23 ' A' ' 95' ' ' THR . 1.8 mp0 -121.88 150.74 41.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -137.22 153.68 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.9 tp -145.05 143.07 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.63 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.1 tp -141.09 97.82 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.38 6.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.84 -0.94 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -62.9 105.54 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.43 -35.97 4.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.512 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.4 mm -53.17 138.95 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 10.1 pt-20 -119.66 115.62 24.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 15' ' ' LEU . 1.2 mt -101.6 -1.49 32.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 93.7 p -38.41 -62.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -42.37 -42.65 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 153.33 -135.16 4.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -89.04 140.74 29.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.512 ' CE ' HG23 ' A' ' 118' ' ' ILE . 15.8 ptp -130.29 146.0 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -94.63 137.53 33.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.747 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.3 mtm -143.06 155.54 44.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.08 163.55 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -151.14 147.58 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.8 143.89 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.651 HG12 HD13 ' A' ' 96' ' ' ILE . 5.1 mt -101.64 123.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.63 -171.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.5 t -89.9 79.95 6.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.44 152.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.93 2.18 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 t -160.41 107.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.034 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.4 m -108.31 150.33 27.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.954 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -154.92 148.51 25.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -166.59 167.2 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 142.68 3.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -167.67 162.19 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.84 104.61 6.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.1 141.62 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.9 mm? -69.81 -91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.71 -158.25 8.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 m -131.24 161.43 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 48' ' ' ILE . 8.4 tp -123.2 137.09 54.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.598 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.4 m-85 -120.33 138.02 53.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 4.9 p90 -166.7 166.38 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.673 ' HB3' HD22 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -139.44 118.21 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.712 HD21 HD23 ' A' ' 92' ' ' LEU . 2.3 mt -83.9 146.48 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -155.16 121.89 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 84' ' ' TYR . 50.2 t80 -95.65 142.59 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -109.82 113.6 26.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' ARG . 85.7 m-85 -81.01 -166.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 68.77 -57.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' LYS . 21.3 mtp180 -105.46 17.52 23.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 37.62 66.82 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.624 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -120.19 161.67 20.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.669 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.1 t80 -125.06 141.15 52.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 76' ' ' THR . 2.5 t -129.2 119.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.741 HG11 ' HG ' ' A' ' 92' ' ' LEU . 48.7 t -119.04 90.12 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -73.01 137.28 45.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.472 HG21 HG21 ' A' ' 62' ' ' THR . 7.1 mt -114.83 100.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -61.89 -138.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.2 pt-20 -114.21 174.39 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.91 143.17 50.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.85 131.75 31.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 106.17 42.13 1.69 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD11 HG21 ' A' ' 96' ' ' ILE . 5.0 mp -105.91 118.05 56.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.19 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 133.46 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 106' ' ' ASP . 1.6 mmt -86.93 -46.04 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -96.54 166.19 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -103.57 -167.33 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 1.9 mt-30 67.24 -59.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' GLU . 22.7 t -110.81 104.6 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.42 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -62.76 75.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 67' ' ' LYS . 10.2 t -175.97 168.73 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.58 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 m -165.66 178.47 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.86 67.63 15.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.58 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.98 142.12 27.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 1.011 ' CE2' HD21 ' A' ' 97' ' ' LEU . 36.0 p90 -136.29 140.13 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.602 ' CD1' HD13 ' A' ' 11' ' ' LEU . 58.0 mt -91.55 133.32 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 4.6 mttm -103.33 114.72 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.464 ' HB3' HG23 ' A' ' 60' ' ' VAL . 7.5 ttp -96.5 145.48 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.846 HG23 ' HG3' ' A' ' 59' ' ' LYS . 95.1 m -149.54 128.19 12.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.712 HD11 ' CE2' ' A' ' 79' ' ' PHE . 60.2 mt -81.56 81.55 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.755 HD13 ' HG3' ' A' ' 56' ' ' LYS . 2.5 mm? -67.16 154.4 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.94 -42.28 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.047 -2.481 . . . . 0.0 111.019 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' ILE . 28.0 mt-10 -53.64 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.755 ' HG3' HD13 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -63.18 -10.92 17.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -35.2 -63.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' ND1' ' HG3' ' A' ' 57' ' ' LYS . 15.6 m-70 -68.78 62.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.846 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.5 OUTLIER -86.9 136.47 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.7 m -147.76 149.41 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.51 157.45 44.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.472 HG21 HG21 ' A' ' 28' ' ' ILE . 17.7 p -87.95 165.86 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -60.39 147.73 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -88.01 100.65 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 71' ' ' PRO . 0.7 OUTLIER -58.34 164.89 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 67' ' ' LYS . 10.3 mmt85 -117.94 119.62 35.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HB3' HG21 ' A' ' 43' ' ' THR . 7.2 mttt 41.0 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 68' ' ' THR . 2.4 t -176.16 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.3 mm? -60.55 -35.06 75.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.16 80.65 12.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.98 149.81 37.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -124.8 103.17 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CE1' HD23 ' A' ' 65' ' ' LEU . 3.4 m-85 -87.49 -45.24 10.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t0 41.27 46.79 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 179.24 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.455 HG23 HG12 ' A' ' 25' ' ' VAL . 16.8 m -156.09 145.27 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 28.4 m-85 -133.53 132.81 41.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 135.67 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 52' ' ' ILE . 47.5 m-85 -136.56 112.87 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.624 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 92.6 m-85 -89.92 148.18 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.69 -51.64 0.69 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.761 HG21 HD11 ' A' ' 90' ' ' LEU . 3.2 mt -51.02 112.14 2.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.3 Cg_endo -74.98 142.69 28.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 27.5 t80 -49.73 -32.17 13.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.6 p -69.57 -19.4 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -88.18 -20.04 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.2 mm -51.17 -50.94 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -60.38 -12.27 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.89 9.91 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.761 HD11 HG21 ' A' ' 82' ' ' ILE . 71.8 mt -105.76 -179.56 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . . . -178.75 119.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.741 ' HG ' HG11 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -85.16 118.32 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 23.1 t-80 -99.97 105.05 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 111' ' ' VAL . 32.4 m-85 -97.6 136.32 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.728 HG23 ' HG3' ' A' ' 110' ' ' GLU . 90.4 m -127.86 113.57 16.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.6 mp -85.98 82.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.011 HD21 ' CE2' ' A' ' 47' ' ' TYR . 1.4 pt? -118.72 171.76 7.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.0 t -114.87 146.82 40.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -89.8 115.89 27.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -109.75 149.98 29.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -58.24 174.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 101' ' ' ARG . 9.7 m-85 67.88 -58.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' ARG . 6.6 p 167.81 -49.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 100' ' ' ASP . 5.7 mtm180 -37.6 143.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' A' ' 105' ' ' ASP . 0.9 OUTLIER -141.41 110.48 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -75.06 110.29 9.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 21.9 mt -83.72 147.56 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.437 HG22 ' HG ' ' A' ' 8' ' ' LEU . 3.2 mt -105.04 -44.51 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.86 164.47 37.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.728 ' HG3' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -114.38 166.18 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.516 HG11 HD23 ' A' ' 11' ' ' LEU . 3.5 t -151.04 152.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 tp -147.81 139.18 23.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.687 HG23 ' O ' ' A' ' 113' ' ' ILE . 1.5 tp -136.99 95.26 12.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.448 1.762 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.602 HD11 HD21 ' A' ' 92' ' ' LEU . 20.9 mt -79.01 2.47 20.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.8 t -67.68 98.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.16 6.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.23 139.87 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 119' ' ' GLU . 9.1 pt-20 -120.37 114.95 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.17 16.96 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p -69.26 -54.5 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -52.99 19.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.93 157.52 10.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.84 143.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 13.0 ptp -134.64 145.84 48.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.765 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -89.3 141.55 28.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.765 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 mtm -142.84 152.55 42.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.38 158.17 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.45 148.74 39.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -93.82 141.07 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.544 HG12 HD13 ' A' ' 96' ' ' ILE . 4.8 mt -99.31 116.7 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.2 pp -125.72 -173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.5 t -84.78 78.34 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.416 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 57.3 161.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.14 31.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.52 160.37 5.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.08 162.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -135.1 -55.87 0.81 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 0.744 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m 58.54 157.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.2 136.56 9.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -171.23 121.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -85.43 65.53 9.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.47 140.57 2.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.0 mm? -68.72 -93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.82 -163.3 17.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 11' ' ' LEU . 93.7 m -118.89 172.92 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.983 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -141.17 123.93 16.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.983 ' N ' HD22 ' A' ' 11' ' ' LEU . 16.6 m-85 -108.64 140.47 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.8 p90 -163.47 165.22 24.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.617 ' HB3' HD22 ' A' ' 126' ' ' LEU . 13.3 p -138.98 129.27 25.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 92' ' ' LEU . 3.8 mt -92.08 146.42 23.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -156.94 126.17 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.0 t80 -103.41 126.56 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.597 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 41.7 t-20 -68.94 100.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -35.18 65.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.12 95.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mtp180 -116.41 20.41 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 35.9 71.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -137.85 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 12.1 t80 -116.99 136.96 52.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.715 HG12 HG23 ' A' ' 76' ' ' THR . 2.9 t -129.42 120.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.624 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 98.3 t -112.24 96.65 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.6 t-20 -81.82 135.51 35.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.639 HG21 HG21 ' A' ' 62' ' ' THR . 28.2 mt -111.55 101.83 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.98 -134.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.51 168.92 9.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.02 131.59 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.88 132.41 53.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.784 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.14 47.28 1.09 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 33' ' ' GLY . 3.3 mt -109.37 117.09 53.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.99 130.62 13.46 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . -37.58 148.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.51 -40.82 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -99.89 164.05 12.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -114.24 66.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -114.92 -64.36 1.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.04 48.8 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 47.55 48.89 16.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.444 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 7.5 t -159.1 175.47 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.484 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 p -165.91 176.28 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 9.6 m-20 -117.39 75.66 8.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 159.29 41.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.756 ' HB3' HG12 ' A' ' 64' ' ' VAL . 46.5 p90 -158.83 138.98 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 95' ' ' THR . 90.3 mt -92.12 146.5 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -109.03 126.8 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.906 ' HB3' HG23 ' A' ' 60' ' ' VAL . 5.4 ttp -102.29 133.18 47.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.689 HG21 ' HG3' ' A' ' 56' ' ' LYS . 39.4 m -139.33 143.56 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.0 mt -98.62 96.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.743 HD23 ' HB2' ' A' ' 56' ' ' LYS . 30.5 mt -89.71 159.94 42.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.637 ' HA ' ' HB3' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.94 -39.01 1.56 Allowed 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.995 -0.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.586 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.9 pt-20 -21.69 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.743 ' HB2' HD23 ' A' ' 53' ' ' LEU . 3.0 tttt 62.4 12.84 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -71.84 -64.8 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 5.8 m-70 -62.75 94.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.89 129.76 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 50' ' ' MET . 13.1 m -147.49 149.82 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -131.19 161.3 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.639 HG21 HG21 ' A' ' 28' ' ' ILE . 40.7 p -96.83 147.36 24.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 126.43 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.756 HG12 ' HB3' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -74.77 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.686 HD23 ' CB ' ' A' ' 71' ' ' PRO . 4.0 mm? -78.77 167.41 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -109.5 119.6 39.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 42.4 mttt 50.75 81.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -175.5 121.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.9 mm? -77.16 -22.91 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.91 86.07 24.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.686 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.01 151.54 39.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 89.98 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 6.2 m-85 -79.64 -44.64 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' PHE . 32.3 t70 37.81 42.49 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -86.23 179.36 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.715 HG23 HG12 ' A' ' 25' ' ' VAL . 6.0 m -155.5 125.37 6.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -118.54 130.18 55.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -103.07 152.7 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -150.52 120.54 7.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.4 146.31 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.64 -28.07 5.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.756 HG21 ' CD1' ' A' ' 87' ' ' ILE . 3.1 mp -65.54 116.15 28.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.55 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.98 16.46 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.562 ' H ' HG22 ' A' ' 82' ' ' ILE . 23.3 t80 68.42 -57.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' PRO . 67.5 p -57.04 -16.55 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -89.26 -12.08 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.756 ' CD1' HG21 ' A' ' 82' ' ' ILE . 8.8 mm -55.42 -36.44 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -73.33 -3.87 29.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.52 3.79 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 51.2 mt -103.21 -165.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 173.68 128.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 15' ' ' LEU . 8.2 mt -93.49 142.71 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.544 ' HB2' HD12 ' A' ' 53' ' ' LEU . 33.0 t-80 -123.17 105.13 9.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.426 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 28.5 m-85 -94.16 103.57 15.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.691 ' HB ' HD11 ' A' ' 97' ' ' LEU . 24.9 m -94.93 136.9 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.441 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.52 HG13 ' CG2' ' A' ' 131' ' ' ILE . 0.9 OUTLIER -97.81 89.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 95' ' ' THR . 2.1 mp -103.56 -169.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.19 143.13 20.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -74.35 118.51 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -101.98 153.81 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -69.26 -24.18 63.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -96.1 -83.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.05 -43.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 109.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.11 123.3 26.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.11 91.36 5.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mt -66.83 110.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 96' ' ' ILE . 7.6 mt -76.29 -40.86 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.52 -170.77 25.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.662 ' HG3' HG23 ' A' ' 95' ' ' THR . 2.1 mt-10 -148.63 151.48 35.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.7 t -145.89 148.88 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.8 tp -144.27 140.59 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.634 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -137.53 96.85 10.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 123.69 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 28.4 mt -83.02 6.41 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.0 t -69.5 64.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 150.46 -27.36 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -65.26 142.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.51 ' O ' ' HE3' ' A' ' 125' ' ' MET . 0.0 OUTLIER -119.87 129.39 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 15' ' ' LEU . 56.8 mt -113.85 10.01 17.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.459 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t -51.04 -62.03 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -45.05 -62.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 175.51 -137.46 3.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.25 143.94 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.51 ' HE3' ' O ' ' A' ' 119' ' ' GLU . 16.7 ptp -129.61 148.21 51.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -100.92 134.5 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.782 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.4 mtm -142.49 156.29 45.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -135.02 159.82 40.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -147.8 144.45 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -85.49 148.32 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.52 ' CG2' HG13 ' A' ' 96' ' ' ILE . 12.2 mt -106.1 118.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.478 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.2 pp -127.89 -171.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t -90.01 68.76 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.478 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 68.63 154.43 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 136' ' ' SER . 18.3 Cg_endo -75.01 54.87 3.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 135' ' ' PRO . 0.3 OUTLIER 59.31 117.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.05 118.39 25.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.36 117.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.17 138.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.96 -138.49 5.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.82 157.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -104.74 92.39 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.4 146.86 6.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.3 mm? -68.71 -87.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.447 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -165.5 -165.97 23.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 11' ' ' LEU . 98.2 m -118.19 170.29 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 0.717 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.955 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -137.9 122.73 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.955 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.3 m-85 -106.11 139.04 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -166.4 174.67 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.61 ' HB3' HD22 ' A' ' 126' ' ' LEU . 2.8 p -149.35 143.26 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 92' ' ' LEU . 4.5 mt -104.51 145.45 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -157.12 129.56 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.4 t80 -101.0 131.47 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.77 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 32.8 t-20 -75.51 58.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 85.9 m-85 -35.12 -49.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.64 -49.92 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.2 mtp85 -109.88 22.93 15.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 36.92 67.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.77 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.09 170.89 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.9 t80 -111.77 137.34 49.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG12 HG23 ' A' ' 76' ' ' THR . 2.2 t -129.15 114.95 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.595 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 78.5 t -109.03 98.42 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 9.2 t-20 -83.47 133.48 34.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.008 HG21 HG21 ' A' ' 62' ' ' THR . 17.4 mt -112.73 99.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' ILE . 3.1 tttp -61.17 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.47 174.44 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.92 128.69 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.22 139.51 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 92.7 48.0 3.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 46' ' ' PRO . 8.4 mt -99.66 119.6 59.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.52 14.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.32 145.6 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.419 ' CE ' HG12 ' A' ' 108' ' ' ILE . 9.9 mmt -110.22 -30.78 7.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.95 -179.67 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -118.83 -7.95 10.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLU . 3.8 mt-30 -38.74 -80.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.39 46.06 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.434 ' CE ' HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER 43.66 33.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.552 HG21 ' HB3' ' A' ' 67' ' ' LYS . 6.0 t -130.16 -176.0 3.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.472 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 3.1 p -165.55 176.04 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.01 68.11 63.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.5 Cg_endo -74.94 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.048 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 1.3 p90 -175.95 142.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.3 153.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 93' ' ' HIS . 13.3 mttt -120.65 128.87 53.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.695 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.6 tmm? -95.94 148.14 22.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.509 ' CG2' ' HG2' ' A' ' 56' ' ' LYS . 97.1 m -155.81 125.65 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 58' ' ' HIS . 6.8 mt -85.6 97.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 11.7 mt -87.63 157.16 52.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -43.93 0.62 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.02 -0.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.659 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -12.01 -66.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER 80.85 1.59 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -70.18 -55.86 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.66 73.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LYS . 12.1 ttmt -97.33 121.92 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.695 HG23 ' HB3' ' A' ' 50' ' ' MET . 13.5 m -141.07 145.55 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.29 148.18 47.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 28' ' ' ILE . 12.0 p -87.22 143.43 27.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.583 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 3.1 ttm180 -38.05 138.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.502 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -105.85 95.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.4 mt -55.0 169.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 64' ' ' VAL . 21.9 mmt-85 -117.78 123.8 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 43' ' ' THR . 4.1 mttt 58.81 89.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 8.0 t -177.16 119.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' CE ' ' A' ' 42' ' ' MET . 6.2 mt -76.9 -26.65 54.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -123.73 75.58 55.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.98 139.91 24.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.485 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.91 97.03 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.8 m-85 -84.66 -39.6 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.38 48.91 2.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.6 mm-40 -88.8 170.62 10.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.57 HG23 HG12 ' A' ' 25' ' ' VAL . 15.5 m -152.74 131.61 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.438 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -121.46 131.49 54.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -102.83 155.42 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 78' ' ' THR . 26.4 m-85 -151.48 121.24 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.401 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 49.2 m-85 -104.44 148.22 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.2 -24.21 8.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.644 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.7 mp -66.73 121.97 80.01 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.05 15.77 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.585 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.2 t80 68.55 -56.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -57.75 -15.67 8.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -88.71 -15.14 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.644 ' CD1' HG21 ' A' ' 82' ' ' ILE . 14.2 mm -51.75 -47.17 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.34 -11.19 20.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.71 10.06 40.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 70.5 mt -110.25 -172.37 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.98 131.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.674 HD22 ' SD ' ' A' ' 50' ' ' MET . 13.5 mt -98.99 137.35 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 84.6 t60 -118.1 105.04 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.578 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.441 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 26.1 m-85 -93.42 100.16 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.596 ' O ' HD12 ' A' ' 97' ' ' LEU . 26.0 m -92.01 118.22 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.714 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.7 mp -88.13 88.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 95' ' ' THR . 4.2 mp -94.19 -164.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.45 102.13 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CB ' HG21 ' A' ' 64' ' ' VAL . 20.7 t80 -76.33 138.86 40.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 0.5 OUTLIER -166.48 61.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 1.9 ptt85 45.8 -173.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.5 ' CD1' ' HD2' ' A' ' 101' ' ' ARG . 8.2 m-85 35.22 34.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER 77.41 -70.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 103' ' ' SER . 2.5 mmt180 38.82 91.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.81 79.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.0 93.36 6.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.59 98.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.693 ' HB ' HG22 ' A' ' 96' ' ' ILE . 72.0 mt -67.21 -32.06 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.501 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -178.89 167.67 38.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.34 136.9 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.6 t -129.39 150.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.5 tp -145.99 143.7 29.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -140.53 96.51 7.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.04 7.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 11.4 mt -76.7 0.19 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.35 76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 136.49 -41.11 1.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.404 HD12 ' SD ' ' A' ' 125' ' ' MET . 2.6 mm -43.28 139.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -115.86 103.63 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 15' ' ' LEU . 68.3 mt -92.98 -14.32 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 120' ' ' LEU . 1.0 OUTLIER -32.13 -65.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.54 -58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.89 -140.82 6.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -81.64 142.04 33.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.404 ' SD ' HD12 ' A' ' 118' ' ' ILE . 13.9 ptp -131.18 140.37 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.699 HD13 ' N ' ' A' ' 127' ' ' MET . 0.7 OUTLIER -94.35 137.4 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.699 ' N ' HD13 ' A' ' 126' ' ' LEU . 8.0 mtm -144.08 154.86 43.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -135.65 140.78 44.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.87 150.52 46.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 149.02 21.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 8' ' ' LEU . 5.4 mt -109.08 113.93 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.2 pp -127.75 -172.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.0 t -89.96 75.09 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.486 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 62.5 158.52 0.13 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 140.35 25.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.781 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.5 t -113.73 123.49 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.11 -60.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.941 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.781 ' HB3' HG22 ' A' ' 131' ' ' ILE . 5.1 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.656 ' O ' HD12 ' A' ' 131' ' ' ILE . . . -57.85 -153.98 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 11' ' ' LEU . 46.8 m -114.39 169.51 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.967 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -131.5 123.17 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.967 ' N ' HD22 ' A' ' 11' ' ' LEU . 20.2 m-85 -105.95 142.66 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.523 ' O ' HD13 ' A' ' 126' ' ' LEU . 11.6 p90 -167.25 160.9 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.951 ' HB3' HD22 ' A' ' 126' ' ' LEU . 3.9 p -138.44 122.06 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -79.32 152.01 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -158.39 141.24 14.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 58.9 t80 -122.4 120.91 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.628 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 12.9 t-20 -68.42 68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 96.0 m-85 -47.59 -42.78 24.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -47.92 -48.25 31.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -111.56 22.93 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 38.47 67.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -135.12 163.24 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.707 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -104.38 140.01 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG1' HG23 ' A' ' 76' ' ' THR . 48.9 t -133.89 122.17 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.707 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 70.7 t -116.69 96.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 11.5 t-20 -84.09 136.32 34.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.959 HG21 HG21 ' A' ' 62' ' ' THR . 2.5 mt -114.59 102.43 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 2.7 tptt -61.55 -139.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.487 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.5 pt-20 -114.19 169.95 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.631 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -121.65 130.59 53.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.03 140.02 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 85.73 41.38 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.631 HD21 ' HB1' ' A' ' 31' ' ' ALA . 2.1 mt -86.16 129.7 52.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 132.17 15.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.798 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.59 151.31 41.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.456 0.17 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 67' ' ' LYS . 10.1 t -159.36 177.38 11.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.503 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.12 176.45 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.54 73.67 11.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.03 159.92 40.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.746 ' HB3' HG22 ' A' ' 64' ' ' VAL . 11.0 p90 -157.53 136.71 11.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.517 HD13 ' HG ' ' A' ' 11' ' ' LEU . 45.8 mt -91.77 130.54 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -95.35 135.87 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.815 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.6 ttp -104.14 140.66 37.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.3 m -154.65 135.58 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 58' ' ' HIS . 42.2 mt -95.32 95.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 56' ' ' LYS . 2.3 mm? -86.76 157.2 55.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.643 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.01 -43.86 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.643 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -15.5 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.581 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.4 tttt 72.25 12.64 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.01 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.532 ' HB2' HD12 ' A' ' 52' ' ' ILE . 69.7 m-70 -51.26 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -102.22 125.0 48.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 50' ' ' MET . 19.1 m -148.26 153.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 157.38 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.959 HG21 HG21 ' A' ' 28' ' ' ILE . 73.5 p -89.6 144.49 25.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -38.22 147.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.746 HG22 ' HB3' ' A' ' 47' ' ' TYR . 3.0 t -95.15 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.4 mm? -56.31 178.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' LYS . 6.8 mmt-85 -130.39 113.47 14.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.684 ' HB3' HG21 ' A' ' 43' ' ' THR . 48.7 mttt 48.56 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER 174.61 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.27 0.53 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 21.9 t0 -142.8 64.35 14.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.834 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 150.99 38.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -127.95 106.97 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -91.37 -41.53 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 32.0 t0 39.7 50.83 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.7 mt-10 -89.05 176.28 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.48 HG23 ' CG1' ' A' ' 25' ' ' VAL . 2.6 m -158.93 131.31 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.82 133.73 53.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.542 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.6 m -101.98 156.21 17.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 78' ' ' THR . 21.6 m-85 -153.8 137.87 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.405 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 97.1 m-85 -120.65 145.89 46.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.69 -25.6 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.628 HD13 ' HB2' ' A' ' 24' ' ' PHE . 2.0 mp -65.54 123.44 84.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.591 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.06 14.48 0.86 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.591 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 18.1 t80 67.34 -56.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 69.3 p -55.54 -17.5 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.0 -15.97 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.807 HD13 HD12 ' A' ' 90' ' ' LEU . 27.2 mm -52.39 -38.91 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.48 -9.01 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.06 13.22 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 87' ' ' ILE . 81.3 mt -106.58 178.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.92 129.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -90.73 113.54 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.479 ' HB2' HD23 ' A' ' 53' ' ' LEU . 19.8 t-80 -95.58 105.62 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -97.34 108.02 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.526 ' O ' HD12 ' A' ' 97' ' ' LEU . 20.9 m -99.06 117.66 34.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.606 HD13 HG12 ' A' ' 131' ' ' ILE . 4.9 mp -90.07 88.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -96.21 -165.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.518 HG13 HD23 ' A' ' 97' ' ' LEU . 24.6 mt -63.46 104.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.488 HG22 HD22 ' A' ' 8' ' ' LEU . 13.3 mt -65.42 -30.02 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.413 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . 177.55 169.96 39.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -123.24 135.2 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 11' ' ' LEU . 2.5 t -126.1 144.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 tp -140.08 140.8 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 113' ' ' ILE . 2.8 tp -139.38 94.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.15 5.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.617 HD11 HD21 ' A' ' 92' ' ' LEU . 29.7 mt -74.96 -1.08 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.6 t -64.23 91.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.61 -30.4 5.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.467 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.7 mm -57.85 147.8 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -122.09 102.97 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 15' ' ' LEU . 11.4 mt -93.88 -17.34 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 54.8 p -37.36 -57.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.61 -46.9 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 159.69 -141.32 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -90.84 141.04 29.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.467 ' CE ' HG23 ' A' ' 118' ' ' ILE . 14.8 ptp -134.38 140.45 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.951 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -87.65 140.33 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.562 ' HE3' HG12 ' A' ' 113' ' ' ILE . 6.3 mtm -143.73 155.76 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.88 159.66 40.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -144.91 143.42 30.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.81 141.0 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.781 HG22 ' HB3' ' A' ' 8' ' ' LEU . 6.9 mt -99.01 121.42 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.65 ' HA ' HD12 ' A' ' 8' ' ' LEU . 2.2 pp -134.16 -172.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.715 HD22 ' CG2' ' A' ' 108' ' ' ILE . 83.8 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.432 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -161.36 -160.84 11.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 11' ' ' LEU . 72.6 m -124.47 171.46 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.451 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.982 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -138.38 122.57 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.982 ' N ' HD22 ' A' ' 11' ' ' LEU . 19.0 m-85 -106.86 143.39 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.765 ' O ' HD13 ' A' ' 126' ' ' LEU . 7.1 p90 -170.83 171.06 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.98 ' HB3' HD22 ' A' ' 126' ' ' LEU . 2.6 p -147.7 131.78 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -90.79 144.62 25.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.5 tt0 -155.62 125.35 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 67.8 t80 -102.84 128.81 49.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.495 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 20.0 t30 -75.28 85.99 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.4 -47.99 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -59.62 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.6 mtp180 -101.61 23.79 10.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 35.38 70.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -133.67 171.21 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.647 ' HB3' HD13 ' A' ' 82' ' ' ILE . 4.7 t80 -116.52 128.19 55.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.767 HG12 HG23 ' A' ' 76' ' ' THR . 2.5 t -118.57 126.36 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.644 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 61.2 t -114.53 94.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 10.9 t-20 -79.96 125.99 30.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.603 HG21 HG21 ' A' ' 62' ' ' THR . 86.2 mt -108.19 100.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.6 tttp -61.12 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.44 172.46 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.58 137.48 52.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.9 47.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.769 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.22 46.67 1.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 33' ' ' GLY . 2.3 mt -107.57 115.61 59.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.65 157.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.3 mmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.402 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.491 0.186 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.835 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.2 t -176.13 171.06 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.528 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 p -165.71 176.62 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.416 ' HB3' HG13 ' A' ' 64' ' ' VAL . 45.6 m-20 -118.23 72.97 9.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.03 149.21 36.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 9.2 p90 -145.84 138.84 25.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.54 133.21 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' A' ' 61' ' ' LYS . 14.7 mttt -105.07 124.13 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.753 ' HB3' HG23 ' A' ' 60' ' ' VAL . 5.0 ttp -96.6 149.8 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 59' ' ' LYS . 97.9 m -155.12 129.43 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.536 HD12 ' HB2' ' A' ' 58' ' ' HIS . 22.5 mt -85.9 90.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 93' ' ' HIS . 55.9 mt -86.25 157.27 56.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.03 -22.73 13.58 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 54' ' ' PRO . 15.6 mt-10 -25.62 -64.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 tttt 74.84 3.76 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -73.3 -66.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HD12 ' A' ' 52' ' ' ILE . 50.8 m-70 -62.47 94.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HG2' HG23 ' A' ' 51' ' ' THR . 0.3 OUTLIER -108.94 119.48 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.753 HG23 ' HB3' ' A' ' 50' ' ' MET . 14.3 m -137.62 145.03 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -124.97 156.83 37.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.603 HG21 HG21 ' A' ' 28' ' ' ILE . 40.5 p -90.2 146.76 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -42.42 147.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 45' ' ' ASP . 12.7 t -90.33 98.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.806 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.3 mm? -54.91 166.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -121.29 125.76 47.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.835 ' HG2' HG21 ' A' ' 43' ' ' THR . 14.4 mttt 42.91 84.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 68' ' ' THR . 1.0 OUTLIER -177.83 119.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.5 mm? -74.88 -28.46 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -116.15 87.43 19.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.94 159.57 41.38 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.74 90.62 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.485 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 2.4 m-85 -80.69 -43.09 20.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 73' ' ' PHE . 61.7 t0 38.04 43.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.7 mm-40 -87.95 -178.25 5.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.767 HG23 HG12 ' A' ' 25' ' ' VAL . 3.9 m -156.24 123.73 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 41.7 m-85 -115.28 127.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -98.82 157.49 16.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 32.6 m-85 -155.99 119.37 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.23 155.58 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.87 -44.43 1.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.732 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.4 mp -49.77 114.06 3.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.66 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.547 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 23.2 t80 67.23 -57.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 70.5 p -55.63 -17.51 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -88.39 -11.91 44.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.732 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.7 mm -56.17 -36.92 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.25 -6.05 26.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -111.22 9.91 21.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 69.6 mt -109.13 -175.63 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -178.0 124.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.559 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.7 mt -88.04 132.42 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.746 ' HB2' HD12 ' A' ' 53' ' ' LEU . 36.7 t-80 -115.66 106.94 14.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -97.91 122.64 41.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.551 ' O ' HD12 ' A' ' 97' ' ' LEU . 41.8 m -115.18 120.59 40.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.747 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -90.22 87.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -92.28 -163.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.491 HG13 HD23 ' A' ' 97' ' ' LEU . 32.9 mt -63.97 108.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.715 ' CG2' HD22 ' A' ' 8' ' ' LEU . 12.1 mt -76.49 -46.96 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.27 167.98 35.12 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -122.43 131.97 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 11' ' ' LEU . 55.2 t -125.29 138.53 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tp -134.94 142.67 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.675 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.2 tp -140.73 96.97 7.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.2 5.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.759 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.4 mt -77.79 2.22 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.0 t -68.1 91.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.86 -28.76 5.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.0 mm -65.3 149.15 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.513 ' O ' ' CE ' ' A' ' 125' ' ' MET . 0.0 OUTLIER -126.06 140.19 52.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 15' ' ' LEU . 34.3 mt -126.68 14.72 7.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -62.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -46.53 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 164.31 -139.0 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -96.73 146.11 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.8 ptp -132.79 160.92 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.98 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -105.35 140.26 38.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.456 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.5 mtm -142.75 150.35 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -135.37 162.85 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.49 146.01 23.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.61 146.3 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.428 HD12 ' CA ' ' A' ' 10' ' ' THR . 8.8 mt -106.13 125.1 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.78 -172.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.958 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.848 ' HB2' HG22 ' A' ' 131' ' ' ILE . 3.3 mm? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.594 ' C ' HD12 ' A' ' 131' ' ' ILE . . . 116.45 -177.03 16.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 11' ' ' LEU . 59.3 m -117.25 167.77 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.966 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.05 122.15 20.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.966 ' N ' HD22 ' A' ' 11' ' ' LEU . 33.9 m-85 -107.79 136.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -160.31 173.38 15.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.8 129.81 14.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -89.71 136.27 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.7 tt0 -144.7 127.04 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -104.87 134.7 47.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.765 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 12.7 t-20 -83.4 60.75 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 17.5 m-85 -41.59 -50.28 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.8 -47.83 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.1 mtp180 -107.26 22.81 15.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.5 mmtt 37.18 69.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.765 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -142.02 172.76 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.761 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.9 t80 -121.3 140.08 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 77' ' ' PHE . 4.1 t -131.2 128.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.761 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 44.5 t -115.58 93.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.57 127.92 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.53 HG21 HG21 ' A' ' 62' ' ' THR . 5.4 mt -108.43 99.56 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.21 -137.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 10.8 pt-20 -113.87 175.0 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.59 154.34 46.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.66 143.12 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 94.82 32.32 7.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.42 HD12 ' CD ' ' A' ' 71' ' ' PRO . 6.4 mt -92.6 120.38 67.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.77 15.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.47 114.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.425 ' HG3' HD11 ' A' ' 108' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.486 0.184 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.443 HG21 ' HG2' ' A' ' 67' ' ' LYS . 5.0 t -165.77 176.99 7.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.53 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 p -165.68 176.53 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' A' ' 64' ' ' VAL . 48.8 m-20 -117.96 73.24 9.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.95 145.42 31.62 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.702 ' CB ' HG12 ' A' ' 64' ' ' VAL . 38.0 p90 -142.49 139.17 31.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.5 mt -93.16 136.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -103.36 155.96 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.658 ' HB3' HG23 ' A' ' 60' ' ' VAL . 6.0 ttp -123.74 150.04 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.633 HG22 HD22 ' A' ' 53' ' ' LEU . 14.9 m -160.49 138.09 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.583 HG23 ' HG ' ' A' ' 90' ' ' LEU . 8.1 mt -96.37 92.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.633 HD22 HG22 ' A' ' 51' ' ' THR . 3.4 mm? -83.91 156.42 64.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.0 -24.49 11.32 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.051 -0.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -24.4 -68.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.594 ' HG3' HG21 ' A' ' 51' ' ' THR . 53.0 tttt 81.08 -2.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.0 mmtt -66.67 -84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -47.44 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.646 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -111.71 124.21 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.658 HG23 ' HB3' ' A' ' 50' ' ' MET . 12.3 m -137.41 146.18 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -125.27 163.09 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.53 HG21 HG21 ' A' ' 28' ' ' ILE . 21.6 p -102.92 155.34 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 125.63 25.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.702 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -77.2 128.54 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.8 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -72.56 167.55 20.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -111.1 116.43 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HG2' HG21 ' A' ' 43' ' ' THR . 18.1 mttt 53.75 82.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -175.28 126.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 69' ' ' LEU . 3.0 mm? -83.92 -20.61 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 p-10 -118.63 80.2 16.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.8 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -75.04 148.35 35.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -128.72 92.37 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 3.6 m-85 -81.83 -45.98 14.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t70 42.24 43.81 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.16 -177.67 6.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.501 HG23 ' CG1' ' A' ' 25' ' ' VAL . 3.1 m -160.97 126.76 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.898 ' O ' HG13 ' A' ' 25' ' ' VAL . 27.0 m-85 -112.35 162.14 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 5.2 m -132.23 154.08 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 78' ' ' THR . 24.2 m-85 -156.51 129.07 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.407 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 94.2 m-85 -111.88 143.93 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.69 -22.35 8.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.594 HG22 ' H ' ' A' ' 84' ' ' TYR . 3.0 mp -64.76 117.78 41.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.572 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 17.19 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.594 ' H ' HG22 ' A' ' 82' ' ' ILE . 19.3 t80 66.4 -56.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.4 p -55.37 -17.85 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.61 -13.73 50.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.527 HD11 HG21 ' A' ' 82' ' ' ILE . 16.6 mm -56.39 -54.77 24.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.41 -30.76 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -82.73 -26.52 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.583 ' HG ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -66.7 -170.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 176.16 120.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 15' ' ' LEU . 12.8 mt -84.26 143.05 29.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.468 ' HB2' HD23 ' A' ' 53' ' ' LEU . 30.4 t-80 -126.23 105.3 8.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 11' ' ' LEU . 23.1 m-85 -93.44 115.48 28.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 m -108.62 122.49 47.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.85 91.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.494 HD23 HG13 ' A' ' 107' ' ' ILE . 4.4 mp -98.33 -164.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 37' ' ' MET . 32.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.494 HG13 HD23 ' A' ' 97' ' ' LEU . 36.8 mt -63.09 121.05 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.425 HD11 ' HG3' ' A' ' 37' ' ' MET . 23.0 mt -96.0 -31.56 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.36 170.81 41.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.77 135.69 49.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 11' ' ' LEU . 8.9 t -131.92 145.31 35.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.9 tp -143.36 142.11 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -139.65 97.88 8.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.13 6.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.3 mt -73.48 -3.84 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.1 t -55.68 97.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.93 -29.7 9.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.689 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.9 mm -50.78 140.79 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 6.5 pt-20 -118.13 116.86 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 15' ' ' LEU . 67.1 mt -108.61 -11.84 15.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 13.0 t -48.57 -56.02 9.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -46.85 -38.64 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . 144.0 155.68 6.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.1 OUTLIER -39.86 143.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.689 ' CE ' HG23 ' A' ' 118' ' ' ILE . 2.7 ptt? -135.87 154.46 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 127' ' ' MET . 0.6 OUTLIER -93.41 138.66 31.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.666 ' N ' HD13 ' A' ' 126' ' ' LEU . 1.7 mtm -142.21 146.73 35.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.36 165.22 21.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.5 147.43 24.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -88.65 144.64 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.848 HG22 ' HB2' ' A' ' 8' ' ' LEU . 7.2 mt -106.21 114.36 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -123.48 -172.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.969 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.654 ' HB3' HG22 ' A' ' 131' ' ' ILE . 9.4 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 121.19 177.41 15.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.2 m -117.02 159.25 22.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.97 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -125.35 122.07 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.97 ' N ' HD22 ' A' ' 11' ' ' LEU . 11.5 m-85 -104.92 137.19 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' O ' HD13 ' A' ' 126' ' ' LEU . 9.8 p90 -166.03 167.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.6 ' HB2' HD22 ' A' ' 126' ' ' LEU . 29.5 t -142.26 146.0 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 120' ' ' LEU . 4.7 mt -106.4 142.38 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -153.56 122.13 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 54.1 t80 -99.78 131.96 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.513 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 8.0 t-20 -76.53 95.3 3.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.09 -32.0 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.57 -43.85 95.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.8 mtp85 -114.08 21.49 14.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASN . 3.7 mmtt 36.99 69.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.75 177.93 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -122.53 138.19 54.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.76 HG12 HG23 ' A' ' 76' ' ' THR . 2.4 t -131.68 123.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 85.1 t -114.51 88.36 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -68.82 131.32 44.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.648 HG21 HG21 ' A' ' 62' ' ' THR . 4.6 mt -110.51 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -63.27 -141.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -114.29 167.92 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.02 139.56 52.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 142.39 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 85.04 50.89 3.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD22 ' CD ' ' A' ' 71' ' ' PRO . 5.0 mp -99.1 125.2 42.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 139.88 24.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.58 144.63 47.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.403 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.477 0.18 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.7 HG21 ' HG2' ' A' ' 67' ' ' LYS . 14.8 t -156.88 160.41 39.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.525 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.1 m -156.52 176.45 12.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -118.84 72.47 11.3 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.98 168.04 25.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.729 ' CB ' HG12 ' A' ' 64' ' ' VAL . 36.3 p90 -165.56 138.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.4 mt -91.87 141.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HD2' HD13 ' A' ' 97' ' ' LEU . 8.9 mttt -113.51 126.41 55.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.538 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.2 tmm? -96.21 148.85 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.633 HG23 ' HG2' ' A' ' 59' ' ' LYS . 98.8 m -157.93 129.22 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 3.4 mt -87.41 101.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.5 mt -90.36 158.32 43.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.631 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.01 -39.94 1.33 Allowed 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.631 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -16.58 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HG3' HG21 ' A' ' 51' ' ' THR . 2.6 tttt 74.02 13.6 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -71.16 -78.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -52.79 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.595 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.633 ' HG2' HG23 ' A' ' 51' ' ' THR . 50.1 mtpt -106.35 116.03 31.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.7 m -128.51 148.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -128.2 148.82 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.648 HG21 HG21 ' A' ' 28' ' ' ILE . 64.2 p -88.53 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 124.3 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.729 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -74.14 128.03 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.773 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -71.93 170.9 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -112.67 129.69 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.7 ' HG2' HG21 ' A' ' 43' ' ' THR . 10.7 mttt 40.26 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 7.5 t -175.31 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -97.26 7.82 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 85.68 4.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.773 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 149.74 37.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.8 89.65 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' ASP . 3.1 m-85 -78.03 -43.5 29.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' PHE . 6.2 p-10 37.5 42.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 179.17 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.76 HG23 HG12 ' A' ' 25' ' ' VAL . 2.8 m -152.49 126.99 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -116.78 120.15 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -96.81 141.96 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -135.94 121.19 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -101.91 131.25 48.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.9 -44.86 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.691 HG21 ' CD1' ' A' ' 87' ' ' ILE . 3.9 mp -43.9 117.53 2.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.575 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.97 15.7 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.598 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.1 t80 68.65 -56.76 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.7 p -57.14 -16.19 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.14 -11.29 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.691 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.6 mm -56.41 -53.19 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 116' ' ' SER . 20.5 mt-30 -49.89 -24.54 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.13 -24.87 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -66.76 -177.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 179.65 131.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.621 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -93.96 132.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.509 ' HB2' HD12 ' A' ' 53' ' ' LEU . 29.1 t-80 -115.43 104.52 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -97.71 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 97' ' ' LEU . 47.7 m -107.96 121.86 45.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.459 HG22 ' HB ' ' A' ' 108' ' ' ILE . 5.3 mp -90.15 92.74 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.1 mp -94.51 -166.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 12.0 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.1 mt -70.34 124.77 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.599 ' CG2' HD22 ' A' ' 8' ' ' LEU . 18.6 mt -93.4 -43.59 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.76 160.04 33.39 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.75 139.66 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.43 HG11 HD12 ' A' ' 11' ' ' LEU . 6.9 t -134.75 149.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -150.71 142.91 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -139.33 98.26 8.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.4 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.621 HD21 ' CD2' ' A' ' 92' ' ' LEU . 21.8 mt -82.04 6.43 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -70.97 57.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.84 -33.38 0.39 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -68.62 136.89 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 7.0 pt-20 -121.38 124.45 44.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 15' ' ' LEU . 3.4 mt -107.36 -1.66 21.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.9 -36.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -55.37 10.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.96 -144.65 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -89.66 145.38 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 8.8 ptp -141.0 138.31 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' A' ' 14' ' ' SER . 0.0 OUTLIER -80.02 142.3 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.582 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.9 OUTLIER -142.3 146.99 35.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.74 135.75 40.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.21 148.24 49.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.61 147.22 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.654 HG22 ' HB3' ' A' ' 8' ' ' LEU . 7.4 mt -103.55 128.62 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.0 pp -142.92 -171.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.638 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.474 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -176.65 -158.55 20.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 11' ' ' LEU . 94.2 m -119.41 174.12 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -144.64 115.95 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.681 ' N ' HD22 ' A' ' 11' ' ' LEU . 14.1 m-85 -99.43 138.7 36.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -165.37 171.7 13.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.16 146.99 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.84 HD21 ' CD1' ' A' ' 92' ' ' LEU . 5.7 mt -111.06 146.13 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.6 tp10 -157.45 137.48 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 39.5 t80 -112.08 121.29 44.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.829 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 54.0 t-20 -69.72 74.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 2.6 m-85 -49.4 -45.85 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -43.53 -50.84 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.7 mtp180 -112.19 25.67 11.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 35.64 67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.829 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.65 167.42 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.678 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.7 t80 -112.53 135.43 53.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG1' HG23 ' A' ' 76' ' ' THR . 22.6 t -127.4 122.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.678 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 79.5 t -116.4 95.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -78.25 140.61 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.598 HG21 HG21 ' A' ' 62' ' ' THR . 8.2 mt -117.87 100.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HE3' HD21 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -61.64 -137.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.483 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.38 175.57 5.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -128.57 131.54 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.61 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.699 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 91.22 61.46 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 33' ' ' GLY . 8.1 mt -115.63 124.04 30.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.75 15.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.02 141.13 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 108' ' ' ILE . 13.3 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.482 0.182 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.856 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.0 t -168.12 170.2 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.502 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.48 176.86 7.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' HB3' HG13 ' A' ' 64' ' ' VAL . 55.9 m-20 -121.32 71.4 24.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -74.99 149.34 36.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 97' ' ' LEU . 46.5 p90 -141.92 138.03 31.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' ' 31' ' ' ALA . 22.2 mt -92.37 144.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -106.09 160.6 15.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.797 ' HB3' HG23 ' A' ' 60' ' ' VAL . 2.5 ttp -135.97 129.66 32.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.513 HG22 HD22 ' A' ' 53' ' ' LEU . 8.3 m -141.67 137.28 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.2 mt -91.41 91.91 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.625 HD11 ' HG3' ' A' ' 56' ' ' LYS . 3.2 mm? -84.86 156.3 61.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -24.33 11.53 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.979 0.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -23.88 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.625 ' HG3' HD11 ' A' ' 53' ' ' LEU . 12.1 tttt 78.84 2.95 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.9 mmtt -69.19 -90.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -44.43 96.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.3 mtpt -105.04 119.46 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 50' ' ' MET . 17.4 m -134.65 149.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.96 162.26 32.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.598 HG21 HG21 ' A' ' 28' ' ' ILE . 19.4 p -91.79 164.96 13.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -59.46 165.3 2.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.49 HG22 ' HB3' ' A' ' 47' ' ' TYR . 12.4 t -107.97 100.25 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.863 HD23 ' CB ' ' A' ' 71' ' ' PRO . 1.9 mm? -58.21 165.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -120.29 128.58 53.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.856 ' HG2' HG21 ' A' ' 43' ' ' THR . 18.2 mttt 43.79 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -177.56 139.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 34' ' ' LEU . 6.6 mt -93.22 -22.89 18.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' ALA . 4.9 m-20 -119.73 87.59 37.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.863 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 136.35 20.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -116.3 93.32 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 71' ' ' PRO . 2.9 m-85 -83.26 -45.09 14.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' PHE . 4.2 m-20 39.64 44.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.7 -178.57 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 ' CG1' ' A' ' 25' ' ' VAL . 19.4 m -159.05 127.24 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -115.91 135.18 54.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.409 ' C ' ' CG ' ' A' ' 79' ' ' PHE . 3.6 m -103.03 157.5 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.439 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CG ' ' C ' ' A' ' 78' ' ' THR . 36.9 m-85 -155.2 125.69 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -103.27 153.0 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.27 -57.9 0.87 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CG2' HD11 ' A' ' 90' ' ' LEU . 2.9 mp -44.96 109.32 0.88 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.96 134.54 18.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.48 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 19.5 t80 -47.83 -28.78 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.7 p -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -84.67 -20.77 30.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.582 HD13 HD12 ' A' ' 90' ' ' LEU . 12.8 mm -50.71 -45.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -61.42 -12.59 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.5 10.21 25.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.582 HD12 HD13 ' A' ' 87' ' ' ILE . 76.3 mt -107.16 -178.46 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -175.22 124.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.84 ' CD1' HD21 ' A' ' 15' ' ' LEU . 15.1 mt -89.47 136.71 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.448 ' HB2' HD23 ' A' ' 53' ' ' LEU . 25.3 t-80 -117.32 106.13 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 29.2 m-85 -93.06 114.79 27.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.673 HG22 ' CD2' ' A' ' 97' ' ' LEU . 22.9 m -109.44 117.57 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.0 mp -87.49 98.2 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.673 ' CD2' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -88.97 -171.45 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.839 ' OG ' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.596 HG23 HG22 ' A' ' 95' ' ' THR . 39.5 mt -60.4 105.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.839 HD11 ' OG ' ' A' ' 98' ' ' SER . 80.4 mt -64.26 -43.46 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.75 177.04 34.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -128.96 140.21 51.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.2 t -136.32 143.8 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 tp -136.96 147.83 46.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.7 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.6 tp -145.44 95.68 4.97 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.05 5.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.28 1.66 18.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.7 t -63.23 94.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.27 -25.55 9.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.69 140.61 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.41 ' C ' ' OE1' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -123.99 134.96 53.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.5 mt -120.73 15.53 11.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -50.78 72.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 165.5 -140.06 6.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 146.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.8 ptp -132.94 150.79 52.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -98.01 139.57 33.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.633 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.8 mtm -143.55 151.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.62 144.46 46.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -133.23 146.26 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 142.77 27.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.638 HG22 ' HB2' ' A' ' 8' ' ' LEU . 4.7 mt -101.6 120.26 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.35 -172.6 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.54 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.6 mm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.1 -165.95 19.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 m -120.23 164.57 16.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 48' ' ' ILE . 4.4 tp -130.93 139.72 50.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.504 ' N ' HD12 ' A' ' 11' ' ' LEU . 24.3 m-85 -123.37 141.62 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 6.5 p90 -169.45 162.4 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.571 ' HB3' HD22 ' A' ' 126' ' ' LEU . 5.1 p -132.95 124.39 27.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.662 HD21 HD23 ' A' ' 92' ' ' LEU . 2.5 mt -87.92 140.26 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -152.19 118.08 5.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 29.6 t80 -103.89 131.87 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.684 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 63.0 t-20 -79.61 122.4 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.8 m-85 -89.73 -32.74 16.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.37 -44.33 84.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.0 mtp180 -117.92 23.51 11.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER 36.54 63.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.684 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -120.41 172.21 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.705 ' CB ' HD13 ' A' ' 82' ' ' ILE . 5.3 t80 -125.99 123.22 38.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 HG23 ' A' ' 76' ' ' THR . 2.3 t -115.78 117.74 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 HD23 ' A' ' 15' ' ' LEU . 90.9 t -111.78 90.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 10.5 t-20 -73.06 136.73 45.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' LYS . 11.7 mt -114.02 101.77 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.06 -135.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.473 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.3 pt-20 -114.21 174.07 6.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.52 141.49 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -134.42 134.41 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 102.99 47.14 1.38 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD23 ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -107.52 116.31 57.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.54 13.36 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.43 1.753 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.82 149.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.506 0.194 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.548 HG21 ' HB3' ' A' ' 67' ' ' LYS . 13.1 t -160.88 154.85 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.496 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.0 p -139.67 177.69 7.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -116.43 75.88 6.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.496 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.08 153.84 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 8.7 p90 -152.3 137.15 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.667 ' CD1' HD13 ' A' ' 11' ' ' LEU . 11.7 mt -92.78 128.37 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.49 125.01 39.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.735 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.8 ttp -96.52 134.45 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 56' ' ' LYS . 86.8 m -148.18 125.53 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.67 HD12 ' HB2' ' A' ' 58' ' ' HIS . 61.4 mt -81.45 93.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 93' ' ' HIS . 29.1 mt -86.51 158.45 54.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.02 -19.88 17.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.02 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -28.19 -69.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.639 ' HA ' HG22 ' A' ' 51' ' ' THR . 0.8 OUTLIER 79.4 2.31 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 17.6 mmtt -71.03 -83.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.67 ' HB2' HD12 ' A' ' 52' ' ' ILE . 3.3 m-70 -50.0 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.59 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -107.27 129.67 54.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 50' ' ' MET . 9.1 m -140.69 149.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -126.33 168.48 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 p -84.94 178.25 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.92 4.06 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 47' ' ' TYR . 41.6 t 50.89 98.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -61.22 163.14 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -116.04 107.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.548 ' HB3' HG21 ' A' ' 43' ' ' THR . 12.6 mttt 56.62 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.95 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.26 -5.13 40.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -141.25 68.35 26.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.804 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 155.3 42.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.13 102.09 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CE1' HD23 ' A' ' 65' ' ' LEU . 3.3 m-85 -82.63 -45.62 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 40.9 43.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -85.51 -175.92 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.67 HG23 HG12 ' A' ' 25' ' ' VAL . 2.9 m -158.12 129.73 6.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 51.4 m-85 -126.23 121.96 34.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -97.44 158.28 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 78' ' ' THR . 36.9 m-85 -155.85 131.86 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 32.1 m-85 -110.28 138.26 46.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.5 -31.96 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.751 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.0 mt -63.04 116.11 22.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.61 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.576 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 27.8 t80 67.13 -57.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 42.5 p -56.11 -17.73 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.0 tt0 -89.21 -11.65 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.751 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.1 mm -56.06 -45.04 80.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -60.2 -13.35 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -104.11 10.57 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 83.1 mt -109.52 -177.98 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -176.32 122.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.787 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.7 OUTLIER -83.61 114.38 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.739 ' HB2' HD12 ' A' ' 53' ' ' LEU . 20.9 t-80 -94.03 104.98 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.497 ' CD2' HD21 ' A' ' 11' ' ' LEU . 28.9 m-85 -96.71 109.84 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 97' ' ' LEU . 22.5 m -102.91 120.29 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.1 mp -93.34 87.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.8 mp -95.26 -162.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.469 HG13 HD23 ' A' ' 97' ' ' LEU . 32.8 mt -65.14 111.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.413 HG22 ' HG ' ' A' ' 8' ' ' LEU . 48.4 mt -79.88 -29.1 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.465 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -173.88 176.95 46.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.67 131.96 45.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.612 HG11 HD23 ' A' ' 11' ' ' LEU . 3.3 t -127.77 147.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 tp -146.81 139.53 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 113' ' ' ILE . 4.1 tp -134.12 94.73 17.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 92' ' ' LEU . 10.0 mt -77.88 2.61 16.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.1 t -60.41 87.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.3 -21.88 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.43 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.4 mm -65.72 148.97 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 125' ' ' MET . 4.5 pt-20 -124.94 122.21 36.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' GLU . 32.4 mt -122.49 46.51 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -67.74 66.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.047 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.525 ' HG3' ' CG ' ' A' ' 19' ' ' PHE . 6.6 mt-10 66.45 8.01 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.24 112.97 3.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -79.07 128.71 33.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.7 ptp -125.51 137.9 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -83.26 140.22 32.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.628 ' HE3' ' CG1' ' A' ' 113' ' ' ILE . 2.2 mtm -141.65 153.77 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 1.2 p30 -136.4 160.82 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.51 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 12.6 mmt-85 -146.09 148.83 33.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -96.55 137.92 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.54 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.5 mt -96.6 121.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -132.56 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.015 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.597 HD22 HG23 ' A' ' 108' ' ' ILE . 23.2 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.451 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -161.7 -165.65 18.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 11' ' ' LEU . 56.5 m -121.65 169.07 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.51 118.68 15.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.894 ' N ' HD22 ' A' ' 11' ' ' LEU . 14.5 m-85 -104.94 139.73 39.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.1 p90 -163.83 163.79 23.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.451 ' HB3' HD22 ' A' ' 126' ' ' LEU . 5.0 p -136.5 118.72 15.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -78.62 150.28 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' VAL . 13.1 tt0 -161.97 132.19 4.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 76.8 t80 -111.91 131.66 55.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -79.81 95.33 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.19 -43.8 93.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.41 -56.2 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.4 mtt-85 -103.87 20.11 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.0 mttt 36.02 68.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -129.82 169.49 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.699 ' CB ' HD13 ' A' ' 82' ' ' ILE . 5.1 t80 -113.4 124.95 53.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.1 t -114.54 134.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 96.0 t -126.72 94.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 76' ' ' THR . 1.0 OUTLIER -82.69 121.4 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.434 HG21 HG21 ' A' ' 62' ' ' THR . 10.2 mt -100.72 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.66 -135.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.33 171.71 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 127.46 41.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -115.0 136.27 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.576 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 101.21 50.63 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD12 ' HG2' ' A' ' 46' ' ' PRO . 3.6 mt -103.03 113.46 65.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.67 157.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.659 ' CE ' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.472 0.177 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 12.6 t -146.7 172.01 14.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.456 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -165.15 175.23 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -125.07 70.02 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.585 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.4 Cg_endo -74.94 169.54 22.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.713 ' CB ' HG12 ' A' ' 64' ' ' VAL . 45.9 p90 -163.71 138.53 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 95' ' ' THR . 70.7 mt -92.99 142.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -112.07 130.57 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.596 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.2 tmm? -96.51 149.76 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.1 m -156.08 130.35 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.769 HD11 ' CD2' ' A' ' 79' ' ' PHE . 5.6 mt -89.96 86.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.914 HD21 ' HD2' ' A' ' 56' ' ' LYS . 79.5 mt -83.08 156.46 66.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.66 13.68 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.963 0.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -26.21 -68.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.914 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER 77.7 7.1 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.92 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -46.53 94.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' LYS . 13.1 mtpt -105.22 122.56 46.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.596 HG23 ' HB3' ' A' ' 50' ' ' MET . 7.0 m -135.09 154.69 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -130.56 157.76 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.517 ' HB ' ' CG ' ' A' ' 73' ' ' PHE . 25.4 p -97.08 131.87 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.49 126.81 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.713 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.68 127.46 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.794 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.8 mm? -70.97 170.65 12.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' LYS . 15.6 mmt-85 -111.42 124.32 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 10.7 mttp 40.92 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.23 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 t -175.5 147.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.659 HD11 ' CE ' ' A' ' 42' ' ' MET . 4.9 mt -104.67 -9.52 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -132.14 80.01 65.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.794 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.02 146.43 32.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.779 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.45 93.76 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 19.5 m-85 -79.02 -39.24 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' PHE . 22.5 t0 38.73 30.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.691 ' CG ' ' CE1' ' A' ' 77' ' ' PHE . 3.9 tp10 -96.89 143.4 27.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.484 ' CB ' ' HA ' ' A' ' 27' ' ' ASN . 1.5 t -126.65 141.77 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.691 ' CE1' ' CG ' ' A' ' 75' ' ' GLU . 19.1 m-85 -122.45 124.57 43.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -86.7 166.38 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.769 ' CD2' HD11 ' A' ' 52' ' ' ILE . 51.7 m-85 -158.59 107.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -86.58 144.41 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.36 -41.43 1.68 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.9 mp -51.94 118.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.548 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 16.84 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.443 1.759 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.582 ' H ' HG22 ' A' ' 82' ' ' ILE . 31.9 t80 68.69 -56.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' PRO . 75.8 p -58.28 -15.78 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -91.28 -10.28 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' ILE . 5.0 mm -55.65 -35.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -74.22 -2.47 25.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.92 13.97 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.073 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 81.6 mt -109.49 -167.85 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 176.18 123.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.584 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.4 mt -89.1 128.78 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.743 ' HB2' HD12 ' A' ' 53' ' ' LEU . 33.8 t-80 -111.45 106.12 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD2' HD11 ' A' ' 11' ' ' LEU . 29.2 m-85 -94.74 111.77 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 48' ' ' ILE . 31.7 m -103.54 123.64 47.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.783 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.8 mp -93.4 86.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.439 HD23 HG13 ' A' ' 107' ' ' ILE . 3.2 mp -94.96 -166.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 34.8 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.439 HG13 HD23 ' A' ' 97' ' ' LEU . 30.8 mt -67.24 105.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.72 ' HB ' HG22 ' A' ' 96' ' ' ILE . 16.4 mt -67.09 -39.37 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.406 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -173.0 164.31 36.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -121.64 131.8 54.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG11 HD12 ' A' ' 11' ' ' LEU . 2.9 t -122.16 149.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 tp -141.86 149.22 39.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.7 tp -149.81 98.23 3.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.01 6.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.581 HD11 ' HZ ' ' A' ' 24' ' ' PHE . 15.2 mt -77.51 0.3 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.1 t -64.32 94.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.28 -25.8 7.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.66 139.96 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -122.82 113.77 19.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.53 HD21 ' CB ' ' A' ' 15' ' ' LEU . 28.7 mt -92.55 4.86 52.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.454 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -47.31 -61.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -41.49 -50.22 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 159.04 -138.2 5.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -88.61 125.54 34.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' SER . 19.4 ptp -112.98 152.16 29.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 127' ' ' MET . 0.6 OUTLIER -100.95 134.95 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.801 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.6 mtm -142.61 154.85 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.77 164.7 27.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.516 ' CG ' HD13 ' A' ' 113' ' ' ILE . 1.9 mmt180 -152.82 146.08 24.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -88.28 140.53 29.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.221 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.547 HG22 ' CD1' ' A' ' 8' ' ' LEU . 4.7 mt -97.74 119.34 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.66 -170.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.5 ' HB2' HG22 ' A' ' 131' ' ' ILE . 3.3 mm? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 -168.53 18.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.9 m -122.97 161.25 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.455 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' CD1' ' A' ' 48' ' ' ILE . 2.1 tp -124.52 147.05 48.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.755 ' N ' HD12 ' A' ' 11' ' ' LEU . 15.9 m-85 -128.41 137.03 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.475 ' O ' HD13 ' A' ' 126' ' ' LEU . 15.0 p90 -168.79 159.82 9.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.797 ' OG ' HD22 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -137.2 120.87 17.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.65 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.6 OUTLIER -76.61 138.29 40.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -144.43 125.94 14.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 61.5 t80 -102.47 124.23 47.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.852 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 33.2 t-20 -70.34 60.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -42.14 -45.77 4.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.46 -44.59 25.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -114.33 23.6 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASN . 8.5 mttt 37.89 66.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.852 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -135.98 168.94 18.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.629 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 4.1 t80 -111.62 126.01 54.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 76' ' ' THR . 2.1 t -122.05 120.84 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.629 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 65.6 t -110.33 98.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 2.5 t-20 -83.39 111.18 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.535 HG21 HG21 ' A' ' 62' ' ' THR . 45.6 mt -94.52 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -62.58 -137.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.506 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.1 pt-20 -113.83 174.59 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -128.75 139.06 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -131.6 136.4 47.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.94 37.94 2.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 69' ' ' LEU . 6.5 mt -98.87 115.61 65.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.06 164.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.8 mmt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.469 0.176 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.714 HG21 ' HG2' ' A' ' 67' ' ' LYS . 10.2 t -168.0 -179.9 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.515 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.66 176.49 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -120.45 71.25 17.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 179.28 6.24 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 1.019 ' CE2' HD21 ' A' ' 97' ' ' LEU . 55.5 p90 -178.4 144.72 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.844 ' CD1' HD13 ' A' ' 11' ' ' LEU . 6.5 mt -92.11 139.54 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 93' ' ' HIS . 15.1 mttt -106.24 125.08 50.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.798 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.3 ttp -96.27 149.09 22.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 53' ' ' LEU . 25.0 m -159.14 129.85 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' A' ' 58' ' ' HIS . 14.9 mt -88.54 89.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 51' ' ' THR . 3.2 mm? -84.93 156.41 60.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.93 -24.31 11.51 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.006 -0.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.562 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.3 mt-10 -24.92 -64.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HG3' HD11 ' A' ' 53' ' ' LEU . 3.5 tttt 72.26 4.95 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 9.1 tppt? -75.37 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.53 ' HB2' HD12 ' A' ' 52' ' ' ILE . 43.6 m-70 -65.54 74.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LYS . 5.4 ttmt -92.15 123.67 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.798 HG23 ' HB3' ' A' ' 50' ' ' MET . 11.0 m -140.15 148.25 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -129.39 152.87 48.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.535 HG21 HG21 ' A' ' 28' ' ' ILE . 70.0 p -93.52 133.35 36.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -35.99 150.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -103.93 96.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.5 mt -55.78 154.97 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 67' ' ' LYS . 10.8 mmt85 -98.72 142.68 29.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.714 ' HG2' HG21 ' A' ' 43' ' ' THR . 5.6 mttt 38.14 85.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 68' ' ' THR . 4.8 t -176.56 103.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 mm? -64.5 -30.59 71.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -117.2 81.06 12.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 143.25 28.84 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.42 1.747 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.69 94.78 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.2 m-85 -81.67 -41.4 21.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' PHE . 3.4 t0 39.48 44.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -83.26 177.3 8.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.588 HG23 HG12 ' A' ' 25' ' ' VAL . 13.8 m -154.72 121.88 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 45.6 m-85 -117.59 125.56 51.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.1 m -101.74 156.67 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' THR . 11.3 m-85 -154.5 133.29 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.32 147.17 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.1 -16.63 8.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.775 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.0 mp -77.71 116.39 57.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.536 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.96 21.66 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.536 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 16.3 t80 66.73 -59.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' PRO . 82.0 p -54.86 -18.81 5.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -87.51 -11.56 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.775 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.6 mm -58.05 -41.05 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -67.91 -7.31 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.07 13.04 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 80.0 mt -110.14 -170.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 178.35 123.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' A' ' 15' ' ' LEU . 13.0 mt -90.0 133.56 34.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.424 ' HB2' HD23 ' A' ' 53' ' ' LEU . 37.6 t-80 -114.12 109.06 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD2' HD21 ' A' ' 11' ' ' LEU . 31.9 m-85 -99.11 110.62 23.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.723 HG23 ' HG2' ' A' ' 110' ' ' GLU . 56.4 m -107.29 101.08 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.859 HD13 HG12 ' A' ' 131' ' ' ILE . 4.4 mp -79.18 83.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.019 HD21 ' CE2' ' A' ' 47' ' ' TYR . 2.2 pt? -111.56 171.88 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' A' ' 97' ' ' LEU . 20.5 mt -83.28 110.78 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.463 HG23 HD12 ' A' ' 8' ' ' LEU . 29.2 mt -60.0 -47.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.519 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -172.6 173.98 45.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.723 ' HG2' HG23 ' A' ' 95' ' ' THR . 52.4 mt-10 -124.03 156.98 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.5 t -142.64 154.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.19 145.93 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.621 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -144.78 98.77 4.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.8 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.3 -0.81 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -69.6 99.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.72 -27.44 8.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.414 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.8 mm -55.57 147.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HE1' ' A' ' 125' ' ' MET . 21.9 mt-10 -120.76 97.21 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 15' ' ' LEU . 11.7 mt -92.0 -14.34 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLU . 55.3 p -39.34 -64.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 1.5 mt-10 -37.73 -42.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.08 -138.43 6.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -93.11 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.43 ' HE1' ' O ' ' A' ' 119' ' ' GLU . 15.3 ptp -130.08 136.6 49.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.797 HD22 ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -84.95 140.33 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.478 ' CE ' HG12 ' A' ' 113' ' ' ILE . 1.4 mtm -141.72 156.47 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -133.35 157.5 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.51 ' NE ' ' CD1' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -139.71 146.32 39.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.45 141.49 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.859 HG12 HD13 ' A' ' 96' ' ' ILE . 2.6 mp -101.58 116.95 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.76 -172.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.059 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.637 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.2 mm? . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -172.47 -164.37 27.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 11' ' ' LEU . 94.5 m -118.84 170.01 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 0.775 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.968 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -141.13 125.65 17.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.968 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.3 m-85 -107.76 139.53 42.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' HE2' HD21 ' A' ' 15' ' ' LEU . 9.5 p90 -165.18 170.59 14.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.698 ' HB3' HD22 ' A' ' 126' ' ' LEU . 4.3 p -147.55 121.1 9.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.592 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -79.78 152.24 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' VAL . 11.8 tt0 -162.3 137.41 7.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 5.6 t30 -79.97 86.29 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.81 -42.74 99.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.24 -47.42 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.2 mtp85 -115.9 24.93 11.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER 36.42 67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.772 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -131.66 172.31 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 7.1 t80 -110.48 150.34 29.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.574 HG12 HG23 ' A' ' 76' ' ' THR . 2.7 t -143.45 126.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 77.9 t -121.45 90.22 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 18.1 t-20 -76.13 120.21 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.628 HD11 ' HG3' ' A' ' 50' ' ' MET . 3.5 mt -102.05 102.58 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -138.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.1 pt-20 -114.63 170.28 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.48 129.86 54.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.6 132.49 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 98.62 44.04 2.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD23 ' CG ' ' A' ' 46' ' ' PRO . 4.9 mp -99.0 121.5 55.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.27 16.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 147.78 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.4 mmm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.519 0.2 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -173.37 153.96 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.529 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 p -149.61 176.05 11.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.0 p-10 -119.62 71.51 14.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 163.46 35.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 1.15 ' CE1' HD21 ' A' ' 97' ' ' LEU . 43.8 p90 -157.77 139.22 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.78 138.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -106.32 124.69 49.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.628 ' HG3' HD11 ' A' ' 28' ' ' ILE . 3.7 tmm? -95.81 145.78 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 HD22 ' A' ' 53' ' ' LEU . 87.2 m -155.81 138.99 15.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.591 HG23 ' HG ' ' A' ' 90' ' ' LEU . 4.9 mt -94.27 89.23 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.526 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.7 mm? -83.8 156.5 64.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.92 -25.21 10.44 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.023 -0.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.577 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -23.05 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER 81.47 15.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -80.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.429 ' HD2' HD12 ' A' ' 52' ' ' ILE . 10.0 m-70 -52.73 99.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -112.92 116.25 29.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.444 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.1 m -132.66 155.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 144.95 36.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -90.38 177.6 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.606 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 96.3 mtt180 -64.37 141.76 58.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.734 HG12 ' CB ' ' A' ' 47' ' ' TYR . 2.5 m -88.14 -20.22 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 2.3 mt 59.16 151.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.9 mmt180 -102.46 134.58 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 66' ' ' ARG . 3.6 mttt 42.94 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 68' ' ' THR . 6.8 t -173.27 114.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.07 -20.74 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.5 78.94 73.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.03 143.44 28.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -126.52 96.35 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 63' ' ' ARG . 1.8 m-85 -82.06 -44.23 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.9 t0 40.69 46.37 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 5.9 mm-40 -89.33 -176.48 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.574 HG23 HG12 ' A' ' 25' ' ' VAL . 2.7 m -158.15 126.61 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 61.7 m-85 -115.25 124.3 51.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -98.86 146.23 26.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 20.3 m-85 -144.13 137.55 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.772 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 88.6 m-85 -119.48 139.58 51.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.35 -19.43 5.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.657 HD13 ' HB2' ' A' ' 24' ' ' PHE . 2.7 mp -70.92 122.14 86.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.97 14.94 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.607 ' H ' HG22 ' A' ' 82' ' ' ILE . 19.3 t80 67.04 -57.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.1 p -53.87 -18.54 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.436 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -83.49 -17.15 42.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.596 HG23 HD12 ' A' ' 115' ' ' LEU . 16.9 mm -53.46 -51.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -53.89 -19.13 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -97.63 -21.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.591 ' HG ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -70.36 -171.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 177.04 120.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.597 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -81.51 127.78 33.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.512 ' HB2' HD23 ' A' ' 53' ' ' LEU . 24.5 t-80 -111.44 105.29 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' VAL . 35.2 m-85 -98.27 111.84 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -101.31 106.7 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.3 mp -80.82 81.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.15 HD21 ' CE1' ' A' ' 47' ' ' TYR . 1.7 pt? -115.96 170.02 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 1.4 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.511 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.1 mt -81.41 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 8' ' ' LEU . 12.1 mt -98.2 -39.19 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.51 168.51 40.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -120.07 154.46 34.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -138.88 148.07 24.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.7 148.17 40.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.3 tp -148.4 96.64 3.88 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 120.93 6.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.597 HD21 ' CD2' ' A' ' 92' ' ' LEU . 21.4 mt -71.92 -4.8 30.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -58.47 105.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.05 -33.4 6.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.482 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.7 mm -61.95 137.45 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 7.6 pt-20 -116.46 113.23 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.614 HD23 ' HE3' ' A' ' 125' ' ' MET . 66.7 mt -93.11 -14.8 26.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.61 -53.87 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -50.4 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 160.07 -142.19 8.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -91.9 119.46 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.614 ' HE3' HD23 ' A' ' 120' ' ' LEU . 15.0 ptp -111.63 139.47 47.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -91.89 140.02 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.767 ' N ' HD13 ' A' ' 126' ' ' LEU . 8.3 mtm -144.77 151.4 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -131.19 144.63 51.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.407 ' CG ' HD13 ' A' ' 113' ' ' ILE . 4.6 mmt180 -130.5 146.98 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -92.99 138.57 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.637 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.3 mt -95.48 118.09 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -130.23 -172.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.668 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.1 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -174.42 -166.02 31.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -113.9 164.11 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.996 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -137.06 125.19 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.996 ' N ' HD22 ' A' ' 11' ' ' LEU . 7.4 m-85 -105.87 139.16 40.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.473 ' O ' HD13 ' A' ' 126' ' ' LEU . 9.1 p90 -166.45 162.84 17.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.599 ' HB3' HD22 ' A' ' 126' ' ' LEU . 15.3 p -136.53 151.21 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.812 HD21 ' CD1' ' A' ' 92' ' ' LEU . 6.0 mt -112.82 152.89 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.99 125.15 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 11.7 t80 -99.16 144.34 28.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.777 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 63.9 t-20 -96.81 60.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 16.1 m-85 -35.8 -48.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -43.62 -53.46 5.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.4 mtp85 -110.31 24.27 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASN . 5.3 mttt 36.23 67.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.777 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.96 165.79 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.787 ' HE2' HD21 ' A' ' 92' ' ' LEU . 6.9 t80 -115.18 132.1 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 76' ' ' THR . 4.0 t -119.28 106.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 89.3 t -101.52 93.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.7 t-20 -81.67 130.13 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.72 HG21 HG21 ' A' ' 62' ' ' THR . 49.9 mt -109.92 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.61 -139.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.8 pt-20 -113.57 169.69 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.88 141.14 52.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -130.82 141.61 50.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.627 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 91.29 45.45 4.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.665 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.7 mt -97.87 122.18 55.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.88 15.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.03 152.09 24.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.404 ' HG3' ' CB ' ' A' ' 98' ' ' SER . 9.7 mmt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.1 tpt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.476 0.179 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.886 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.9 t -150.85 171.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.449 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.3 p -164.98 175.36 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 56.2 m-20 -122.33 73.01 38.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.4 Cg_endo -74.99 162.81 36.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.735 ' CB ' HG12 ' A' ' 64' ' ' VAL . 33.4 p90 -159.01 142.79 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 95' ' ' THR . 23.7 mt -93.11 157.68 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 47' ' ' TYR . 2.7 mtpm? -128.93 127.36 41.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.586 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.3 tmm? -99.81 149.72 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.414 ' N ' ' SD ' ' A' ' 50' ' ' MET . 99.9 m -155.21 134.78 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.483 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.2 mt -91.62 94.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.4 mm? -87.12 156.95 54.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -25.35 10.34 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.979 0.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.591 ' C ' ' O ' ' A' ' 54' ' ' PRO . 25.1 mt-10 -21.97 -66.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 71.77 6.41 5.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -74.16 -63.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 11.7 m-70 -68.36 97.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.654 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -109.32 122.42 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 50' ' ' MET . 16.0 m -135.17 148.81 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.07 152.94 48.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.72 HG21 HG21 ' A' ' 28' ' ' ILE . 38.2 p -90.65 138.59 31.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.2 126.15 17.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.735 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -72.32 134.58 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.864 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -81.23 165.59 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -109.67 126.84 54.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.886 ' HG2' HG21 ' A' ' 43' ' ' THR . 15.7 mttt 45.54 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -176.15 135.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -93.0 -5.45 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.74 88.35 16.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.864 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 141.13 26.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.499 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.97 88.92 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 8.4 m-85 -79.3 -42.4 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.5 t70 38.39 43.53 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 6.2 mm-40 -89.89 177.71 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 HG12 ' A' ' 25' ' ' VAL . 10.8 m -154.75 132.24 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 95.5 m-85 -122.46 119.85 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -97.32 138.39 34.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 52' ' ' ILE . 23.3 m-85 -133.92 116.11 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -91.29 168.39 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.09 -46.61 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.436 ' CG2' HD21 ' A' ' 90' ' ' LEU . 6.5 mt -52.0 113.98 4.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.94 138.35 23.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.489 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 30.2 t80 -45.13 -48.08 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.5 p -54.8 -25.45 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.544 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -79.79 -14.47 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 6.9 mm -63.88 -56.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -54.06 -18.63 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.61 -26.29 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -65.63 -169.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 178.17 135.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.812 ' CD1' HD21 ' A' ' 15' ' ' LEU . 15.9 mt -99.21 140.26 33.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -123.64 105.52 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 111' ' ' VAL . 26.0 m-85 -94.59 118.84 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 97' ' ' LEU . 21.7 m -115.79 117.42 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.8 mp -86.22 100.16 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.639 ' CD2' HG22 ' A' ' 95' ' ' THR . 0.6 OUTLIER -92.41 -171.11 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.641 ' OG ' HD11 ' A' ' 108' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.58 HG23 HG22 ' A' ' 95' ' ' THR . 56.3 mt -64.74 96.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' OG ' ' A' ' 98' ' ' SER . 97.1 mt -55.93 -37.6 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.63 177.91 40.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -131.96 145.92 51.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -144.54 143.47 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.3 tp -140.82 147.39 38.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -145.47 99.63 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.71 5.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 48.9 mt -66.3 -9.1 29.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.9 t -60.27 104.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.82 -41.05 2.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -58.59 149.59 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.511 ' O ' ' CE ' ' A' ' 125' ' ' MET . 10.0 mm-40 -125.64 128.24 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 15' ' ' LEU . 84.2 mt -112.37 5.39 18.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -56.14 -48.46 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.22 -56.4 18.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.92 -142.81 7.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 10.2 tttt -85.33 133.9 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.511 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 17.2 ptp -124.68 142.67 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -92.5 137.44 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.7 mtm -142.53 149.98 39.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -134.75 143.77 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.515 ' HG3' HD13 ' A' ' 113' ' ' ILE . 23.2 mmt-85 -132.12 146.72 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -89.53 140.63 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.668 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.3 mt -96.59 123.07 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -136.78 -172.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.8 mm? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' ILE . . . -164.14 -173.27 32.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -115.9 160.59 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 12' ' ' PHE . 5.8 tp -122.95 136.43 54.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.674 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.2 m-85 -120.02 137.38 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -169.17 168.51 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.561 ' HB3' HD22 ' A' ' 126' ' ' LEU . 83.5 p -132.98 161.32 34.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mt -126.63 136.04 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -154.83 126.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 68.3 t80 -101.14 127.01 47.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 45.7 t-20 -71.18 94.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.6 m-85 -68.69 -36.03 77.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -49.24 76.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.4 mtp180 -109.87 21.64 16.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 37.01 69.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.1 178.41 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.0 t80 -121.66 135.36 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG12 HG23 ' A' ' 76' ' ' THR . 5.5 t -123.55 111.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 48.9 t -107.51 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.08 128.1 33.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.593 HG21 HG21 ' A' ' 62' ' ' THR . 27.3 mt -109.62 101.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.75 -135.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -113.05 177.53 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.35 127.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -118.28 130.18 55.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.837 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 107.1 48.16 0.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.837 HD23 ' C ' ' A' ' 33' ' ' GLY . 1.6 mt -107.77 113.72 61.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.95 12.85 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.42 158.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.42 ' CE ' HG12 ' A' ' 108' ' ' ILE . 12.7 mmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.423 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.512 0.196 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.597 ' HA ' HD21 ' A' ' 69' ' ' LEU . 7.5 t -176.31 177.94 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.559 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 7.9 p -164.73 177.85 7.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.12 68.42 17.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.1 Cg_endo -75.03 153.7 41.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 24.7 p90 -157.54 139.18 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.567 ' CD1' HD13 ' A' ' 11' ' ' LEU . 61.7 mt -90.33 143.58 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.476 ' HD2' HD13 ' A' ' 97' ' ' LEU . 14.4 mttt -110.68 128.09 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.67 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.6 ttp -96.09 146.38 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.63 HG22 ' HA ' ' A' ' 56' ' ' LYS . 91.2 m -156.1 124.1 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 58' ' ' HIS . 21.1 mt -82.19 90.05 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.71 156.86 67.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.558 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.0 Cg_endo -75.03 -23.75 12.26 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.995 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.4 mt-10 -25.81 -61.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.63 ' HA ' HG22 ' A' ' 51' ' ' THR . 0.4 OUTLIER 67.87 8.99 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -79.17 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' HB2' HD12 ' A' ' 52' ' ' ILE . 17.2 m-70 -61.79 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 51' ' ' THR . 3.6 mttt -94.71 126.13 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.8 m -146.17 140.92 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -124.1 154.34 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.593 HG21 HG21 ' A' ' 28' ' ' ILE . 7.5 p -87.14 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -42.98 110.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.3 p -68.76 100.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.54 156.71 22.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -105.4 137.2 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.6 mtpt 45.78 86.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 13.8 t -177.79 105.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 43' ' ' THR . 2.5 mm? -66.53 -26.46 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.98 77.66 31.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.01 137.72 22.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.804 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.68 93.81 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.4 m-85 -81.56 -43.02 19.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 42.57 45.43 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -88.63 174.51 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.44 HG23 HG12 ' A' ' 25' ' ' VAL . 4.3 m -158.68 130.58 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -119.93 129.77 54.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 m -105.39 141.06 37.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -138.33 128.41 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -99.24 155.77 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.06 -62.34 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.578 HG21 HD11 ' A' ' 90' ' ' LEU . 4.3 mt -41.98 113.72 1.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.35 21.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 37.8 t80 -51.84 -19.0 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 p -80.59 -19.66 45.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.403 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 3.0 tt0 -90.42 -14.44 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.3 mm -52.83 -41.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.03 -7.07 19.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -113.12 16.17 19.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 82' ' ' ILE . 71.9 mt -112.78 -176.93 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 179.22 124.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.722 HD21 HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -88.09 130.69 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.526 ' HB2' HD23 ' A' ' 53' ' ' LEU . 26.9 t-80 -111.49 104.47 12.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -96.48 108.83 21.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 97' ' ' LEU . 65.3 m -101.75 121.84 42.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.775 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.3 mp -85.87 89.18 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 95' ' ' THR . 4.3 mp -95.33 -166.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 32.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.5 mt -66.26 107.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.59 ' HB ' HG22 ' A' ' 96' ' ' ILE . 7.7 mt -74.96 -37.49 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.447 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -169.16 -179.67 41.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.63 138.4 47.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.572 HG11 HD23 ' A' ' 11' ' ' LEU . 10.8 t -131.96 150.74 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -148.64 143.5 26.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.7 tp -140.39 98.13 7.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.722 HD11 HD21 ' A' ' 92' ' ' LEU . 27.5 mt -87.5 15.15 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.55 54.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.5 -27.2 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.59 HD12 ' SD ' ' A' ' 125' ' ' MET . 6.7 mm -54.51 164.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.573 ' C ' HD13 ' A' ' 120' ' ' LEU . 10.2 mt-10 -147.56 102.71 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -104.38 41.93 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.58 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 99.8 p -64.94 69.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 120' ' ' LEU . 6.9 mt-10 65.53 9.14 5.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -117.49 115.96 3.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -83.27 120.37 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.59 ' SD ' HD12 ' A' ' 118' ' ' ILE . 18.5 ptp -112.84 143.04 44.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -92.03 140.29 29.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.714 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.1 mtm -141.83 155.87 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -135.73 166.24 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 -148.45 146.75 28.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -94.48 138.93 31.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.447 HG23 ' HA3' ' A' ' 109' ' ' GLY . 4.2 mt -100.6 118.75 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -128.0 -172.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.796 HD22 HG23 ' A' ' 108' ' ' ILE . 46.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.442 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -159.98 -168.11 21.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -124.18 162.95 22.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 12' ' ' PHE . 4.7 tp -124.65 139.36 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.716 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.7 m-85 -123.17 141.89 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' HD13 ' A' ' 126' ' ' LEU . 8.3 p90 -171.2 156.7 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' 125' ' ' MET . 0.2 OUTLIER -129.87 130.08 44.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.912 HD21 HD11 ' A' ' 92' ' ' LEU . 4.0 mt -90.94 144.79 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -152.97 139.38 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 50.7 t80 -117.96 126.72 52.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.576 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 13.1 t-20 -73.87 58.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 28.1 m-85 -35.81 -47.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -47.81 -48.16 30.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASN . 13.1 mtp180 -110.86 21.46 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER 36.25 71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.967 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -137.07 155.38 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 2.9 t80 -99.35 128.07 45.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.492 ' CG1' HG23 ' A' ' 76' ' ' THR . 15.1 t -124.46 112.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 59.9 t -109.02 94.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -79.31 131.35 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' LYS . 66.1 mt -107.43 101.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.79 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.507 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.2 pt-20 -114.1 172.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -125.54 137.48 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.92 133.8 46.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.678 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 105.21 41.75 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 33' ' ' GLY . 2.3 mt -101.06 114.53 65.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 127.41 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.38 144.57 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.523 0.201 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.682 ' HA ' HD21 ' A' ' 69' ' ' LEU . 3.3 t -163.57 179.55 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.47 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 15.1 m -163.99 175.34 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -120.73 73.49 23.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.97 166.53 29.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.944 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 15.1 p90 -162.82 139.62 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.621 ' CD1' HD13 ' A' ' 11' ' ' LEU . 9.7 mt -91.78 135.48 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 93' ' ' HIS . 14.1 mttt -106.44 124.95 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.496 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.1 tmm? -96.24 150.08 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' HG3' ' A' ' 56' ' ' LYS . 86.5 m -156.28 129.23 7.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.552 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.4 mt -86.44 90.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.77 157.11 67.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.56 13.8 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.536 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -28.0 -67.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.619 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER 75.14 3.91 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 10.4 mmtt -70.25 -85.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 2.7 m-70 -50.99 93.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' LYS . 3.8 mtpt -105.93 126.19 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 50' ' ' MET . 9.4 m -131.7 147.84 32.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 155.17 46.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -88.37 160.51 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -58.07 127.2 30.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 64' ' ' VAL . 10.9 t -76.99 92.1 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 1.6 mt -62.58 163.13 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -116.14 133.13 56.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 0.3 OUTLIER 48.27 84.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 68' ' ' THR . 5.8 t -176.64 104.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 43' ' ' THR . 2.2 mm? -67.09 -29.78 69.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -117.04 80.77 11.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CB ' HD13 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.99 141.23 26.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.507 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.42 93.69 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' ASP . 2.4 m-85 -81.18 -44.58 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER 37.78 44.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.32 178.9 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.492 HG23 ' CG1' ' A' ' 25' ' ' VAL . 18.5 m -143.34 149.81 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -140.85 139.58 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.596 HG22 ' CD2' ' A' ' 80' ' ' TYR . 8.8 m -124.6 127.78 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.552 ' CD2' HD11 ' A' ' 52' ' ' ILE . 73.0 m-85 -112.05 -12.45 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.967 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 22.6 m-85 44.43 -171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 82' ' ' ILE . . . 71.67 -55.85 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.909 HD12 ' O ' ' A' ' 80' ' ' TYR . 3.5 mp -33.08 113.39 0.39 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.565 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.03 18.81 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.596 ' H ' HG22 ' A' ' 82' ' ' ILE . 32.1 t80 68.31 -57.04 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.5 p -55.82 -17.35 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.06 -4.01 56.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.738 ' CD1' HG21 ' A' ' 82' ' ' ILE . 5.3 mm -63.38 -52.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -48.7 -37.76 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -73.48 -30.95 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -64.43 -170.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 175.29 120.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.912 HD11 HD21 ' A' ' 15' ' ' LEU . 10.8 mt -84.42 145.85 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.411 ' HB2' HD23 ' A' ' 53' ' ' LEU . 34.5 t-80 -128.08 104.44 7.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.711 ' CD2' HD21 ' A' ' 11' ' ' LEU . 24.0 m-85 -94.78 119.53 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.7 m -115.71 100.16 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.829 HD13 HG12 ' A' ' 131' ' ' ILE . 4.5 mp -78.38 83.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.944 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.7 pt? -115.44 170.58 8.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.523 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 23.9 mt -79.62 137.16 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.796 HG23 HD22 ' A' ' 8' ' ' LEU . 8.1 mt -91.1 -40.62 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.82 169.62 42.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -121.98 144.96 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.548 HG11 HD23 ' A' ' 11' ' ' LEU . 6.6 t -134.37 153.29 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.6 tp -149.39 139.21 21.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.616 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.5 OUTLIER -136.98 99.57 10.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 87' ' ' ILE . 15.7 mt -74.25 -1.8 22.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.5 t -62.17 95.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.89 -32.09 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -52.77 131.76 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 8.1 pt-20 -119.49 114.03 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' GLY . 1.6 mt -100.64 2.07 41.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 p -40.34 -34.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.22 -47.43 57.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 156.17 -137.73 5.65 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -88.74 125.79 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.413 ' C ' ' HG ' ' A' ' 14' ' ' SER . 14.9 ptp -118.3 138.55 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -84.2 139.25 32.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.2 mtm -141.75 154.82 45.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.52 161.56 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.413 ' CG ' ' CD1' ' A' ' 113' ' ' ILE . 0.0 OUTLIER -148.47 146.63 28.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.04 146.55 24.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.829 HG12 HD13 ' A' ' 96' ' ' ILE . 5.3 mt -104.33 123.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.529 ' HA ' HD12 ' A' ' 8' ' ' LEU . 2.0 pp -137.1 -171.35 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.597 HD13 ' HA3' ' A' ' 109' ' ' GLY . 6.9 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.47 167.44 11.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.525 HG22 ' CE1' ' A' ' 12' ' ' PHE . 6.3 m -113.5 143.28 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 94' ' ' PHE . 8.9 tp -105.85 140.69 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.668 ' H ' HD12 ' A' ' 11' ' ' LEU . 20.2 m-85 -120.52 137.99 54.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' O ' HD13 ' A' ' 126' ' ' LEU . 7.0 p90 -167.5 168.67 12.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.944 ' HB3' HD22 ' A' ' 126' ' ' LEU . 54.7 p -143.89 118.99 10.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.44 147.86 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -159.09 121.83 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 65.9 t80 -100.94 121.19 41.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.488 ' CB ' ' HB3' ' A' ' 23' ' ' ALA . 2.1 t30 -68.66 86.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.74 -49.21 75.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CG ' ' ND2' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -42.56 -60.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.8 mtp85 -99.71 22.58 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.6 mttt 35.83 67.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 18' ' ' ASN . . . -128.8 171.5 12.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.671 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.3 t80 -118.5 118.91 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.404 HG12 HG23 ' A' ' 76' ' ' THR . 3.1 t -110.16 129.72 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.716 HG21 HD21 ' A' ' 92' ' ' LEU . 94.5 t -119.91 91.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 7.1 t-20 -77.91 122.35 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.585 HD11 ' HG3' ' A' ' 50' ' ' MET . 6.8 mt -104.22 101.78 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.67 -139.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.508 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -113.67 177.37 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.07 133.55 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 137.19 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.579 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 84.59 70.61 1.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.579 HD23 ' C ' ' A' ' 33' ' ' GLY . 10.1 mt -113.07 126.68 27.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.09 9.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.66 141.47 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mmt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.5 tpt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.439 0.161 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.647 HG21 ' HB3' ' A' ' 67' ' ' LYS . 12.8 t -169.08 169.78 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.544 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.9 p -165.68 177.31 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -116.72 73.64 6.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 136.85 20.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CB ' HG12 ' A' ' 64' ' ' VAL . 43.1 p90 -135.8 140.33 44.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.727 ' CD1' HD13 ' A' ' 11' ' ' LEU . 9.8 mt -91.85 131.23 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -103.47 119.66 39.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.585 ' HG3' HD11 ' A' ' 28' ' ' ILE . 4.4 tmm? -96.71 149.07 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.606 HG21 ' HG3' ' A' ' 56' ' ' LYS . 82.6 m -156.28 128.77 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 79' ' ' PHE . 2.6 mt -80.72 91.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.735 HD12 ' HB2' ' A' ' 93' ' ' HIS . 28.6 mt -87.34 158.43 52.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -19.83 17.17 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.987 -0.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -27.45 -66.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.606 ' HG3' HG21 ' A' ' 51' ' ' THR . 28.0 tttt 77.78 0.89 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -68.22 -85.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -51.05 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.601 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HG2' HG23 ' A' ' 51' ' ' THR . 9.6 mtpm? -104.33 118.12 35.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 50' ' ' MET . 16.2 m -130.55 148.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -128.51 149.97 50.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.404 HG21 HG21 ' A' ' 28' ' ' ILE . 33.2 p -89.09 133.12 34.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.18 124.97 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.704 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.75 129.71 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 71' ' ' PRO . 3.9 mm? -71.79 174.21 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -115.42 100.83 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.647 ' HB3' HG21 ' A' ' 43' ' ' THR . 24.9 mttt 57.43 98.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 1.4 t 175.84 114.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.74 -1.66 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -140.36 71.74 32.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.757 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.96 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -161.23 98.42 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.84 -45.54 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.33 43.28 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.5 mt-10 -85.73 176.49 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.404 HG23 HG12 ' A' ' 25' ' ' VAL . 10.9 m -153.25 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -115.46 138.19 51.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 2.1 m -111.6 153.81 25.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 52' ' ' ILE . 45.4 m-85 -151.89 102.58 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -80.09 153.6 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.53 -60.09 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.515 HG21 HD11 ' A' ' 90' ' ' LEU . 4.1 mt -43.1 112.04 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.85 21.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 27.8 t80 -51.61 -19.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.4 p -79.21 -19.07 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -91.14 -15.57 29.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.8 mm -52.17 -41.65 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -66.06 -9.55 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -110.19 10.66 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.515 HD11 HG21 ' A' ' 82' ' ' ILE . 61.9 mt -108.92 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 178.09 126.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.716 HD21 HG21 ' A' ' 26' ' ' VAL . 10.4 mt -87.17 121.79 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.735 ' HB2' HD12 ' A' ' 53' ' ' LEU . 10.1 t-80 -98.22 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.075 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 1.057 ' CB ' HG13 ' A' ' 111' ' ' VAL . 12.1 m-85 -91.04 132.12 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.679 HG23 ' CG ' ' A' ' 110' ' ' GLU . 9.4 m -135.18 116.09 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.3 mp -92.82 95.97 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 95' ' ' THR . 2.7 mp -99.31 -164.66 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.37 109.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.602 ' HB ' HG22 ' A' ' 96' ' ' ILE . 88.6 mt -74.73 -45.39 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.597 ' HA3' HD13 ' A' ' 8' ' ' LEU . . . -159.93 -167.36 20.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.679 ' CG ' HG23 ' A' ' 95' ' ' THR . 3.7 mt-10 -157.15 154.55 29.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.057 HG13 ' CB ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -155.51 153.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 113' ' ' ILE . 10.6 tp -141.17 153.24 45.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.702 ' O ' HG23 ' A' ' 113' ' ' ILE . 3.9 tp -145.81 95.32 4.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.89 11.24 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.62 57.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.56 -23.98 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.564 1.165 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.04 137.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 6.6 pt-20 -122.18 115.37 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -108.52 8.57 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -25.49 48.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.28 -67.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . -179.08 156.78 19.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' GLY . 1.4 ttpt -39.75 125.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.443 ' HE1' ' O ' ' A' ' 119' ' ' GLU . 10.3 ptp -119.49 135.25 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -75.56 143.98 42.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.625 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.5 OUTLIER -143.05 149.38 38.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.27 133.94 37.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.573 ' CG ' HD13 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -124.06 155.29 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 3.8 pt-20 -98.2 126.55 43.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 96' ' ' ILE . 3.5 mt -77.6 125.76 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 110' ' ' GLU . 2.1 pp -141.77 -172.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.516 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.5 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.59 -169.34 26.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 11' ' ' LEU . 91.4 m -118.3 169.91 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 0.765 . . . . 0.0 110.358 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD23 HG11 ' A' ' 111' ' ' VAL . 5.9 tp -132.13 144.65 50.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.621 ' H ' HD12 ' A' ' 11' ' ' LEU . 17.1 m-85 -127.82 135.74 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 127' ' ' MET . 4.7 p90 -161.54 169.34 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.404 ' HB3' ' HG ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -146.72 117.77 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 92' ' ' LEU . 3.0 mt -81.73 147.28 29.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -155.93 113.29 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -92.02 132.67 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.527 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 27.0 t30 -81.13 98.19 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.07 -33.03 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.19 -46.12 91.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.9 mtp85 -113.75 22.59 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.8 mptt 36.02 69.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.9 178.28 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.605 ' HZ ' HD22 ' A' ' 15' ' ' LEU . 3.9 t80 -128.82 119.23 24.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.61 ' CG1' HG23 ' A' ' 76' ' ' THR . 4.4 t -108.06 112.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.57 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 66.1 t -104.26 90.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -77.56 138.51 39.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' LYS . 22.1 mt -117.13 99.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.4 ttpt -61.67 -138.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.0 pt-20 -113.02 168.9 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -123.06 144.27 49.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.36 130.98 41.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.78 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 108.16 48.53 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 33' ' ' GLY . 3.1 mt -108.17 113.13 60.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 131.8 14.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.9 161.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.519 0.2 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.718 HG21 ' HG2' ' A' ' 67' ' ' LYS . 10.8 t -159.02 164.52 35.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.486 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.7 m -164.77 175.81 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.8 p30 -125.82 67.27 59.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.62 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.0 160.67 39.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.779 ' CB ' HG12 ' A' ' 64' ' ' VAL . 24.4 p90 -156.07 141.93 18.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.59 ' CD1' HD13 ' A' ' 11' ' ' LEU . 36.2 mt -91.39 144.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 2.2 mttm -114.16 128.47 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.644 ' SD ' HD22 ' A' ' 92' ' ' LEU . 3.5 tmm? -96.48 150.5 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.535 HG22 HD22 ' A' ' 53' ' ' LEU . 32.5 m -157.96 129.7 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.384 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.486 HG23 ' HG ' ' A' ' 90' ' ' LEU . 3.1 mt -87.02 89.54 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.535 HD22 HG22 ' A' ' 51' ' ' THR . 3.3 mm? -84.65 156.08 61.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -26.59 9.11 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.018 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.575 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -22.35 -70.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.418 ' HG3' HG21 ' A' ' 51' ' ' THR . 4.2 tttt 79.55 5.97 2.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.3 mmtt -71.01 -81.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -55.65 88.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LYS . 25.4 mtpt -101.07 117.46 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.8 m -131.31 146.79 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -127.98 166.2 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 p -107.0 136.82 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.96 135.47 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.779 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -83.33 129.14 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.858 HD23 ' CB ' ' A' ' 71' ' ' PRO . 4.0 mm? -67.86 172.64 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -115.93 123.93 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.718 ' HG2' HG21 ' A' ' 43' ' ' THR . 17.5 mttt 46.14 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 43' ' ' THR . 1.8 t -173.07 153.29 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.78 -23.65 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.78 85.96 45.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.858 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.06 142.14 27.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -123.88 90.84 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 5.7 m-85 -79.39 -42.5 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.1 t0 38.59 43.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -176.12 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.61 HG23 ' CG1' ' A' ' 25' ' ' VAL . 2.9 m -158.57 126.84 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -123.86 115.62 21.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -88.01 156.81 19.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 82' ' ' ILE . 36.0 m-85 -151.42 112.48 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -93.46 153.11 18.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.58 -39.53 2.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.699 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.4 mp -51.48 114.61 5.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.98 21.17 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.529 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 22.3 t80 65.97 -57.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . 58.9 p -54.92 -18.6 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.05 -8.97 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.699 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.6 mm -61.08 -52.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -49.93 -33.1 16.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.05 -28.29 43.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -66.78 -171.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 174.47 118.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.83 ' CD1' HD21 ' A' ' 15' ' ' LEU . 9.9 mt -83.39 141.6 31.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.45 ' HB2' HD23 ' A' ' 53' ' ' LEU . 35.5 t-80 -122.55 105.34 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.642 ' CD2' HD21 ' A' ' 11' ' ' LEU . 27.5 m-85 -96.16 107.7 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -101.54 108.43 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.5 mp -80.02 85.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.687 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -120.71 167.22 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 46.6 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.495 HG12 ' CB ' ' A' ' 97' ' ' LEU . 16.6 mt -79.05 147.16 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mt -103.49 -45.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.402 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -164.93 173.82 40.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -127.55 150.05 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.693 HG11 HD23 ' A' ' 11' ' ' LEU . 2.5 t -138.52 146.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 tp -141.33 138.8 33.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.694 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -133.9 95.67 17.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.2 5.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.21 2.73 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.8 t -61.56 85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.94 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 127.38 -32.82 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -53.29 137.41 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 5.9 pt-20 -124.61 110.73 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -104.19 19.44 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.8 m -66.3 -42.75 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -65.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.88 -146.17 4.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.35 138.05 32.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 125' ' ' MET . 9.3 ptp -133.89 129.84 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 127' ' ' MET . 0.4 OUTLIER -88.51 158.53 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mtm -154.93 160.71 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.73 160.98 36.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.01 148.11 33.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.63 144.98 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.576 HG12 HD13 ' A' ' 96' ' ' ILE . 3.3 mt -105.24 114.57 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -127.5 -172.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.851 HD22 HG23 ' A' ' 108' ' ' ILE . 91.0 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . -173.71 -169.29 35.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.4 HG22 ' CE1' ' A' ' 12' ' ' PHE . 4.7 m -126.64 161.22 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 12' ' ' PHE . 10.2 tp -119.56 143.07 47.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.659 ' H ' HD12 ' A' ' 11' ' ' LEU . 16.6 m-85 -126.89 141.13 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.7 p90 -170.33 171.28 6.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.39 117.35 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.754 HD23 HG22 ' A' ' 26' ' ' VAL . 2.5 mt -79.97 141.3 36.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -151.6 118.3 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 66.8 t80 -98.93 130.82 45.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.661 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 23.7 t-20 -81.18 89.46 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 2.0 m-85 -60.89 -46.36 90.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 -49.97 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.4 mtp180 -109.63 23.15 14.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.3 mttt 35.01 69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -133.56 171.12 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.668 ' CZ ' HD11 ' A' ' 115' ' ' LEU . 8.4 t80 -120.93 126.09 49.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.766 HG12 HG23 ' A' ' 76' ' ' THR . 2.4 t -119.77 114.84 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.754 HG22 HD23 ' A' ' 15' ' ' LEU . 72.4 t -108.59 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.1 t-20 -78.92 126.78 31.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' LYS . 7.8 mt -103.4 103.01 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.82 -138.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 11.7 pt-20 -116.03 171.62 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.26 141.78 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.11 139.86 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.678 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 83.54 70.74 1.34 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 33' ' ' GLY . 10.4 mt -119.01 118.27 33.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.59 10.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.97 158.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.473 ' CE ' HG13 ' A' ' 108' ' ' ILE . 7.8 mmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.533 0.206 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 67' ' ' LYS . 14.6 t -174.74 152.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.528 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -142.55 178.07 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -116.76 74.4 6.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.04 143.85 29.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.956 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 10.5 p90 -148.04 139.77 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.606 ' CD1' HD13 ' A' ' 11' ' ' LEU . 12.0 mt -92.06 136.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 24.9 mttt -101.96 125.32 48.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.626 ' HB3' HG23 ' A' ' 60' ' ' VAL . 1.9 ttp -96.85 142.93 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 56' ' ' LYS . 34.5 m -154.84 132.55 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.82 HD12 ' HB2' ' A' ' 58' ' ' HIS . 80.9 mt -90.19 104.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.2 mm? -90.55 156.11 45.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.672 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -74.96 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.672 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -8.64 -70.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 51' ' ' THR . 5.7 tttt 91.0 -5.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -57.53 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.82 ' HB2' HD12 ' A' ' 52' ' ' ILE . 8.3 m-70 -39.69 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 14.1 mtpt -119.55 121.62 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.626 HG23 ' HB3' ' A' ' 50' ' ' MET . 11.7 m -131.04 152.86 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -132.32 168.0 18.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -85.63 177.48 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' VAL . 1.9 ttt-85 -72.66 0.23 11.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 47' ' ' TYR . 46.2 t 52.44 100.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.3 mm? -62.18 161.11 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -114.58 105.25 12.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 68' ' ' THR . 55.4 mttt 58.84 107.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.65 113.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.6 -5.43 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -142.6 69.57 20.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.796 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 165.13 31.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -139.22 104.07 4.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -84.94 -49.46 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 43.27 42.03 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -88.75 171.33 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.766 HG23 HG12 ' A' ' 25' ' ' VAL . 4.3 m -146.39 133.48 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -125.58 121.88 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 m -97.92 152.14 19.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -144.4 134.16 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 78.8 m-85 -114.84 155.6 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.48 -9.58 45.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.56 1.163 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 87' ' ' ILE . 4.8 mt -80.32 118.61 73.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 16.77 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.638 ' H ' HG22 ' A' ' 82' ' ' ILE . 16.2 t80 66.87 -59.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' PRO . 73.7 p -54.32 -18.01 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.455 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.58 -18.65 34.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' ILE . 12.8 mm -51.03 -43.16 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -63.49 -11.04 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -108.0 9.46 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.433 HD12 HD13 ' A' ' 87' ' ' ILE . 78.5 mt -110.46 -173.62 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . . . 179.84 149.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.626 ' CD1' HD21 ' A' ' 15' ' ' LEU . 12.5 mt -113.84 141.28 47.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.477 ' CE1' ' OG1' ' A' ' 95' ' ' THR . 31.1 t-80 -118.41 106.15 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.565 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CD2' HD21 ' A' ' 11' ' ' LEU . 24.8 m-85 -94.93 100.63 12.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.562 HG23 ' HG3' ' A' ' 110' ' ' GLU . 96.2 m -100.1 107.46 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.7 HD13 HG12 ' A' ' 131' ' ' ILE . 3.8 mp -82.14 84.12 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.956 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -117.24 171.35 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.451 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 32.2 mt -83.46 138.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.851 HG23 HD22 ' A' ' 8' ' ' LEU . 5.8 mt -97.81 -47.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.404 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -163.66 176.77 39.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 95' ' ' THR . 2.0 mp0 -132.16 146.43 52.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -137.26 152.97 28.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.0 tp -145.81 143.43 29.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -139.68 97.79 8.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 131.7 14.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 33.3 mt -87.99 18.03 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.1 t -72.55 58.4 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 149.23 -24.47 1.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 120' ' ' LEU . 2.3 mm -50.87 135.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.6 100.86 6.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.457 HD11 ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -91.06 3.08 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 8.7 t -62.64 -47.08 85.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.81 -55.62 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 167.61 156.2 9.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 113.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.7 ptp -101.54 150.44 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.699 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -98.31 137.29 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.699 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.7 mtm -142.35 152.98 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -134.08 166.59 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -151.18 146.4 26.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -89.31 139.06 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.7 HG12 HD13 ' A' ' 96' ' ' ILE . 5.6 mt -98.98 120.03 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.11 -172.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 108' ' ' ILE . 36.9 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.478 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -165.96 -163.37 19.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.44 ' N ' HD12 ' A' ' 131' ' ' ILE . 74.0 m -126.39 162.64 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.975 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -130.5 122.39 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.975 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.7 m-85 -106.85 138.86 42.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' O ' HD13 ' A' ' 126' ' ' LEU . 11.0 p90 -167.13 169.21 12.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.737 ' HB3' HD22 ' A' ' 126' ' ' LEU . 80.9 p -144.94 130.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -88.04 148.54 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -159.45 123.98 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 57.7 t80 -104.13 133.37 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.794 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 47.7 t-20 -81.85 75.07 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 3.2 m-85 -48.34 -51.16 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.1 mtp180 -101.26 24.39 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.7 mttt 34.68 71.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.794 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -139.38 175.04 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CB ' HD13 ' A' ' 82' ' ' ILE . 10.0 t80 -121.15 145.15 48.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.71 ' CG1' HG23 ' A' ' 76' ' ' THR . 6.7 t -135.58 120.64 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.613 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 73.9 t -109.55 94.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -81.52 116.32 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.857 HG21 HG21 ' A' ' 62' ' ' THR . 55.4 mt -99.17 102.44 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -61.42 -136.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.57 174.9 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.63 123.03 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.07 138.39 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 93.39 50.02 2.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 9.5 mt -99.88 118.69 61.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.15 11.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.554 1.818 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.03 150.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.487 0.185 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.899 HG21 ' HG2' ' A' ' 67' ' ' LYS . 8.7 t -155.83 173.35 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.516 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.4 p -165.24 176.69 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -120.61 71.16 18.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 168.33 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 18.1 p90 -173.33 137.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -91.12 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.858 ' HD2' HD13 ' A' ' 97' ' ' LEU . 10.2 mttt -107.52 126.03 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.853 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.3 ttp -96.19 130.82 43.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.659 HG21 ' CD ' ' A' ' 56' ' ' LYS . 60.9 m -140.27 128.36 22.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 52' ' ' ILE . 60.6 mt -85.27 81.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 ' HG2' ' A' ' 56' ' ' LYS . 2.1 mm? -65.84 155.54 86.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 -39.61 1.41 Allowed 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.0 0.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -56.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.659 ' CD ' HG21 ' A' ' 51' ' ' THR . 11.7 mtmt -60.79 -8.41 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 56' ' ' LYS . 5.1 mmtt -28.66 -77.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -60.05 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -99.3 131.3 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.853 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.5 m -150.94 143.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.2 160.91 28.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.857 HG21 HG21 ' A' ' 28' ' ' ILE . 37.9 p -93.93 132.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -37.4 115.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.1 p -75.5 102.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.5 mt -64.36 157.9 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -105.91 144.08 33.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.899 ' HG2' HG21 ' A' ' 43' ' ' THR . 3.4 mttm 42.48 82.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 9.1 t -176.18 119.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.6 mt -79.21 -26.95 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -121.37 78.58 35.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.555 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.95 140.24 25.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.503 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.36 96.97 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.9 m-85 -82.77 -43.73 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PHE . 2.3 m-20 39.19 45.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.8 -179.88 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.71 HG23 ' CG1' ' A' ' 25' ' ' VAL . 3.0 m -158.66 129.98 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 68.7 m-85 -121.25 125.16 46.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -100.89 141.32 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 82' ' ' ILE . 19.4 m-85 -139.6 121.4 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -99.88 128.01 46.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.47 -32.87 1.82 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.746 HG21 ' CD1' ' A' ' 87' ' ' ILE . 1.7 mp -61.04 116.61 19.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.564 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 17.55 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 24.9 t80 67.75 -57.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' PRO . 81.8 p -56.04 -16.92 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -90.0 -10.31 45.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.746 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.0 mm -58.47 -39.29 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.82 -9.42 28.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.13 12.25 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 79.4 mt -110.94 -175.54 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -178.45 121.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.578 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.9 mt -84.25 124.38 31.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 24.4 t-80 -105.49 105.42 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.418 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 26.5 m-85 -94.02 102.23 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 97' ' ' LEU . 32.2 m -98.16 118.33 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.8 mp -87.56 85.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.858 HD13 ' HD2' ' A' ' 49' ' ' LYS . 3.8 mp -97.68 -165.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.41 122.47 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.552 HG23 HD22 ' A' ' 8' ' ' LEU . 9.6 mt -88.71 -44.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.09 167.08 39.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -123.16 130.8 53.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.3 t -126.15 145.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tp -140.85 139.48 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 113' ' ' ILE . 2.6 tp -137.43 97.16 10.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.65 18.88 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.24 58.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 150.16 -20.19 1.08 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.44 ' CG2' HD11 ' A' ' 120' ' ' LEU . 2.6 mm -51.74 144.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.784 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -134.68 104.73 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.446 HD22 ' H ' ' A' ' 120' ' ' LEU . 0.3 OUTLIER -96.71 11.56 35.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 10.0 t -56.39 -57.24 13.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -51.88 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.66 -145.13 8.8 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.417 ' NZ ' ' OG ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -91.95 122.03 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 18.4 ptp -107.03 144.86 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -92.75 138.31 31.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.9 mtm -143.59 145.7 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.53 149.27 49.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 113' ' ' ILE . 14.9 mmt180 -139.28 144.11 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 147.37 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 9' ' ' GLY . 8.0 mt -106.81 122.56 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.491 ' CA ' HD12 ' A' ' 8' ' ' LEU . 2.1 pp -136.62 -171.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 108' ' ' ILE . 79.7 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 175.68 -170.93 44.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 11' ' ' LEU . 55.2 m -123.6 170.59 10.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.94 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.99 121.69 18.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.94 ' N ' HD22 ' A' ' 11' ' ' LEU . 18.1 m-85 -105.37 141.67 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CD1' HD13 ' A' ' 11' ' ' LEU . 8.4 p90 -168.16 174.98 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.772 ' HB3' HD22 ' A' ' 126' ' ' LEU . 8.0 p -151.5 122.07 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -80.14 152.7 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.1 tt0 -159.74 130.98 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 29.4 t80 -101.41 130.07 47.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.697 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 11.1 t30 -79.49 60.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -41.18 -48.18 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -41.61 -59.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' LYS . 70.8 mtt180 -102.64 25.31 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 38.44 63.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -132.99 177.37 7.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.676 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 5.8 t80 -117.67 142.16 47.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.671 HG12 HG23 ' A' ' 76' ' ' THR . 11.9 t -130.98 121.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.676 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 89.3 t -114.56 95.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.0 t-20 -82.95 124.67 30.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.424 HD12 ' HE2' ' A' ' 77' ' ' PHE . 76.7 mt -105.97 103.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -137.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.486 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.4 OUTLIER -114.63 176.21 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.98 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 140.62 44.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.591 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 84.52 72.38 1.29 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.591 HD23 ' C ' ' A' ' 33' ' ' GLY . 9.9 mt -116.21 119.16 37.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.66 144.3 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 70.1 mmm . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.527 0.203 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 9.8 t -132.1 -178.77 5.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.536 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -165.26 177.14 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.527 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 1.4 m-20 -126.37 64.01 53.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 156.95 43.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 1.085 ' CE2' HD21 ' A' ' 97' ' ' LEU . 51.3 p90 -158.51 145.05 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.414 HD13 ' HG ' ' A' ' 11' ' ' LEU . 18.5 mt -91.91 146.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 0.4 OUTLIER -116.46 128.79 55.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' A' ' 51' ' ' THR . 2.9 tmm? -96.0 146.58 24.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.583 HG23 ' HG2' ' A' ' 59' ' ' LYS . 87.5 m -156.79 131.44 8.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.477 HG23 ' HG ' ' A' ' 90' ' ' LEU . 3.7 mt -89.87 103.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.56 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 22.5 mt -90.27 158.15 44.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -42.29 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.978 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.621 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -14.61 -65.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 7.1 tttt 81.74 5.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.33 -74.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.675 ' CD2' HD11 ' A' ' 82' ' ' ILE . 3.1 m-70 -50.05 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 51' ' ' THR . 10.0 mtpt -115.87 117.61 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.7 m -134.63 163.03 37.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -149.52 165.96 30.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.466 ' HG1' ' HD1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -108.48 142.13 39.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.62 104.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 45' ' ' ASP . 1.4 p -58.18 101.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 71' ' ' PRO . 2.6 mt -53.57 149.15 8.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' LYS . 21.2 mmt-85 -101.57 137.72 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 28.8 mtmt 43.9 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 3.9 t -178.24 112.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.99 -18.43 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -131.58 74.83 77.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.492 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 139.82 24.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -120.71 98.55 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.466 ' HD1' ' HG1' ' A' ' 62' ' ' THR . 8.4 m-85 -80.15 -47.46 14.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.75 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -90.21 170.43 10.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.671 HG23 HG12 ' A' ' 25' ' ' VAL . 3.2 m -148.44 126.15 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.424 ' HE2' HD12 ' A' ' 28' ' ' ILE . 71.9 m-85 -114.56 119.63 37.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.543 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -90.18 155.99 18.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 78' ' ' THR . 42.0 m-85 -152.45 128.4 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 67.6 m-85 -107.6 161.36 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.91 -38.07 3.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 58' ' ' HIS . 3.1 mt -61.77 114.51 11.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.2 Cg_endo -75.06 136.13 19.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 23.5 t80 -49.15 -25.76 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.5 p -74.51 -21.43 59.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -86.95 -10.76 52.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 8.4 mm -60.74 -61.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -48.55 -33.58 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -81.42 -25.12 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -67.76 -170.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 175.26 122.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.595 HD21 ' HE2' ' A' ' 24' ' ' PHE . 10.5 mt -87.29 144.76 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 34.5 t-80 -126.43 104.25 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.602 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 111' ' ' VAL . 29.3 m-85 -94.42 108.8 20.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 ' HG3' ' A' ' 110' ' ' GLU . 93.1 m -100.89 105.42 16.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.654 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.9 mp -78.18 82.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.085 HD21 ' CE2' ' A' ' 47' ' ' TYR . 1.6 pt? -117.36 169.79 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.516 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.4 mt -79.27 138.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.542 HG23 HD22 ' A' ' 8' ' ' LEU . 6.1 mt -96.69 -45.1 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.55 167.72 40.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.423 ' HG3' HG23 ' A' ' 95' ' ' THR . 1.8 mp0 -121.88 150.74 41.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -137.22 153.68 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.9 tp -145.05 143.07 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.63 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.1 tp -141.09 97.82 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.38 6.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.84 -0.94 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -62.9 105.54 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.43 -35.97 4.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.512 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.4 mm -53.17 138.95 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 10.1 pt-20 -119.66 115.62 24.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 15' ' ' LEU . 1.2 mt -101.6 -1.49 32.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 93.7 p -38.41 -62.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -42.37 -42.65 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 153.33 -135.16 4.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -89.04 140.74 29.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.512 ' CE ' HG23 ' A' ' 118' ' ' ILE . 15.8 ptp -130.29 146.0 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -94.63 137.53 33.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.747 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.3 mtm -143.06 155.54 44.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.08 163.55 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -151.14 147.58 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.8 143.89 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.651 HG12 HD13 ' A' ' 96' ' ' ILE . 5.1 mt -101.64 123.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.63 -171.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.5 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.9 mm? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.71 -158.25 8.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 m -131.24 161.43 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 48' ' ' ILE . 8.4 tp -123.2 137.09 54.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.598 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.4 m-85 -120.33 138.02 53.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 4.9 p90 -166.7 166.38 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.673 ' HB3' HD22 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -139.44 118.21 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.712 HD21 HD23 ' A' ' 92' ' ' LEU . 2.3 mt -83.9 146.48 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -155.16 121.89 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 84' ' ' TYR . 50.2 t80 -95.65 142.59 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -109.82 113.6 26.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' ARG . 85.7 m-85 -81.01 -166.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 68.77 -57.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' LYS . 21.3 mtp180 -105.46 17.52 23.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 37.62 66.82 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.624 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -120.19 161.67 20.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.669 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.1 t80 -125.06 141.15 52.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 76' ' ' THR . 2.5 t -129.2 119.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.741 HG11 ' HG ' ' A' ' 92' ' ' LEU . 48.7 t -119.04 90.12 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -73.01 137.28 45.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.472 HG21 HG21 ' A' ' 62' ' ' THR . 7.1 mt -114.83 100.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -61.89 -138.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.2 pt-20 -114.21 174.39 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.91 143.17 50.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.85 131.75 31.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 106.17 42.13 1.69 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD11 HG21 ' A' ' 96' ' ' ILE . 5.0 mp -105.91 118.05 56.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.19 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 133.46 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 106' ' ' ASP . 1.6 mmt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.42 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.51 0.195 . . . . 0.0 110.972 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 67' ' ' LYS . 10.2 t -175.97 168.73 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.58 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 m -165.66 178.47 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.86 67.63 15.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.58 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.98 142.12 27.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 1.011 ' CE2' HD21 ' A' ' 97' ' ' LEU . 36.0 p90 -136.29 140.13 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.602 ' CD1' HD13 ' A' ' 11' ' ' LEU . 58.0 mt -91.55 133.32 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 4.6 mttm -103.33 114.72 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.464 ' HB3' HG23 ' A' ' 60' ' ' VAL . 7.5 ttp -96.5 145.48 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.846 HG23 ' HG3' ' A' ' 59' ' ' LYS . 95.1 m -149.54 128.19 12.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.712 HD11 ' CE2' ' A' ' 79' ' ' PHE . 60.2 mt -81.56 81.55 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.755 HD13 ' HG3' ' A' ' 56' ' ' LYS . 2.5 mm? -67.16 154.4 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.94 -42.28 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.047 -2.481 . . . . 0.0 111.019 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' ILE . 28.0 mt-10 -53.64 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.755 ' HG3' HD13 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -63.18 -10.92 17.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -35.2 -63.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' ND1' ' HG3' ' A' ' 57' ' ' LYS . 15.6 m-70 -68.78 62.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.846 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.5 OUTLIER -86.9 136.47 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.7 m -147.76 149.41 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.51 157.45 44.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.472 HG21 HG21 ' A' ' 28' ' ' ILE . 17.7 p -87.95 165.86 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -60.39 147.73 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -88.01 100.65 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 71' ' ' PRO . 0.7 OUTLIER -58.34 164.89 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 67' ' ' LYS . 10.3 mmt85 -117.94 119.62 35.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HB3' HG21 ' A' ' 43' ' ' THR . 7.2 mttt 41.0 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.521 ' O ' ' CG2' ' A' ' 68' ' ' THR . 2.4 t -176.16 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.3 mm? -60.55 -35.06 75.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.16 80.65 12.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.98 149.81 37.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -124.8 103.17 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CE1' HD23 ' A' ' 65' ' ' LEU . 3.4 m-85 -87.49 -45.24 10.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t0 41.27 46.79 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 179.24 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.455 HG23 HG12 ' A' ' 25' ' ' VAL . 16.8 m -156.09 145.27 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 28.4 m-85 -133.53 132.81 41.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 135.67 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 52' ' ' ILE . 47.5 m-85 -136.56 112.87 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.624 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 92.6 m-85 -89.92 148.18 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.69 -51.64 0.69 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.761 HG21 HD11 ' A' ' 90' ' ' LEU . 3.2 mt -51.02 112.14 2.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.3 Cg_endo -74.98 142.69 28.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 27.5 t80 -49.73 -32.17 13.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.6 p -69.57 -19.4 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -88.18 -20.04 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.2 mm -51.17 -50.94 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -60.38 -12.27 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.89 9.91 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.761 HD11 HG21 ' A' ' 82' ' ' ILE . 71.8 mt -105.76 -179.56 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . . . -178.75 119.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.741 ' HG ' HG11 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -85.16 118.32 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 23.1 t-80 -99.97 105.05 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 111' ' ' VAL . 32.4 m-85 -97.6 136.32 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.728 HG23 ' HG3' ' A' ' 110' ' ' GLU . 90.4 m -127.86 113.57 16.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.6 mp -85.98 82.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.011 HD21 ' CE2' ' A' ' 47' ' ' TYR . 1.4 pt? -118.72 171.76 7.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 21.9 mt -83.72 147.56 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.437 HG22 ' HG ' ' A' ' 8' ' ' LEU . 3.2 mt -105.04 -44.51 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.86 164.47 37.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.728 ' HG3' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -114.38 166.18 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.516 HG11 HD23 ' A' ' 11' ' ' LEU . 3.5 t -151.04 152.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 tp -147.81 139.18 23.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.687 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.5 tp -136.99 95.26 12.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.448 1.762 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.602 HD11 HD21 ' A' ' 92' ' ' LEU . 20.9 mt -79.01 2.47 20.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.8 t -67.68 98.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.16 6.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.23 139.87 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 9.1 pt-20 -120.37 114.95 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.17 16.96 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p -69.26 -54.5 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -52.99 19.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.93 157.52 10.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.84 143.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 13.0 ptp -134.64 145.84 48.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.765 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -89.3 141.55 28.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.765 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 mtm -142.84 152.55 42.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.38 158.17 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.45 148.74 39.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -93.82 141.07 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.544 HG12 HD13 ' A' ' 96' ' ' ILE . 4.8 mt -99.31 116.7 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -125.72 -173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.0 mm? . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.82 -163.3 17.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 11' ' ' LEU . 93.7 m -118.89 172.92 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.983 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -141.17 123.93 16.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.983 ' N ' HD22 ' A' ' 11' ' ' LEU . 16.6 m-85 -108.64 140.47 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.8 p90 -163.47 165.22 24.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.617 ' HB3' HD22 ' A' ' 126' ' ' LEU . 13.3 p -138.98 129.27 25.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 92' ' ' LEU . 3.8 mt -92.08 146.42 23.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -156.94 126.17 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.0 t80 -103.41 126.56 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.597 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 41.7 t-20 -68.94 100.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -35.18 65.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.12 95.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mtp180 -116.41 20.41 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 35.9 71.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -137.85 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 12.1 t80 -116.99 136.96 52.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.715 HG12 HG23 ' A' ' 76' ' ' THR . 2.9 t -129.42 120.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.624 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 98.3 t -112.24 96.65 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.6 t-20 -81.82 135.51 35.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.639 HG21 HG21 ' A' ' 62' ' ' THR . 28.2 mt -111.55 101.83 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.98 -134.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.51 168.92 9.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.02 131.59 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.88 132.41 53.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.784 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.14 47.28 1.09 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 33' ' ' GLY . 3.3 mt -109.37 117.09 53.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.99 130.62 13.46 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . -37.58 148.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.471 0.177 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.444 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 7.5 t -159.1 175.47 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.484 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 p -165.91 176.28 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 9.6 m-20 -117.39 75.66 8.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 159.29 41.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.756 ' HB3' HG12 ' A' ' 64' ' ' VAL . 46.5 p90 -158.83 138.98 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 95' ' ' THR . 90.3 mt -92.12 146.5 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -109.03 126.8 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.906 ' HB3' HG23 ' A' ' 60' ' ' VAL . 5.4 ttp -102.29 133.18 47.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.689 HG21 ' HG3' ' A' ' 56' ' ' LYS . 39.4 m -139.33 143.56 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.0 mt -98.62 96.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.743 HD23 ' HB2' ' A' ' 56' ' ' LYS . 30.5 mt -89.71 159.94 42.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.637 ' HA ' ' HB3' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.94 -39.01 1.56 Allowed 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.995 -0.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.586 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.9 pt-20 -21.69 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.743 ' HB2' HD23 ' A' ' 53' ' ' LEU . 3.0 tttt 62.4 12.84 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -71.84 -64.8 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 5.8 m-70 -62.75 94.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.89 129.76 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 50' ' ' MET . 13.1 m -147.49 149.82 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -131.19 161.3 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.639 HG21 HG21 ' A' ' 28' ' ' ILE . 40.7 p -96.83 147.36 24.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 126.43 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.756 HG12 ' HB3' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -74.77 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.686 HD23 ' CB ' ' A' ' 71' ' ' PRO . 4.0 mm? -78.77 167.41 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -109.5 119.6 39.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 42.4 mttt 50.75 81.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -175.5 121.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.9 mm? -77.16 -22.91 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.91 86.07 24.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.686 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.01 151.54 39.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 89.98 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 6.2 m-85 -79.64 -44.64 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' PHE . 32.3 t70 37.81 42.49 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -86.23 179.36 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.715 HG23 HG12 ' A' ' 25' ' ' VAL . 6.0 m -155.5 125.37 6.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -118.54 130.18 55.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -103.07 152.7 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -150.52 120.54 7.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.4 146.31 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.64 -28.07 5.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.756 HG21 ' CD1' ' A' ' 87' ' ' ILE . 3.1 mp -65.54 116.15 28.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.55 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.98 16.46 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.562 ' H ' HG22 ' A' ' 82' ' ' ILE . 23.3 t80 68.42 -57.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' PRO . 67.5 p -57.04 -16.55 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -89.26 -12.08 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.756 ' CD1' HG21 ' A' ' 82' ' ' ILE . 8.8 mm -55.42 -36.44 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -73.33 -3.87 29.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.52 3.79 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 51.2 mt -103.21 -165.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 173.68 128.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 15' ' ' LEU . 8.2 mt -93.49 142.71 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.544 ' HB2' HD12 ' A' ' 53' ' ' LEU . 33.0 t-80 -123.17 105.13 9.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.426 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 28.5 m-85 -94.16 103.57 15.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.691 ' HB ' HD11 ' A' ' 97' ' ' LEU . 24.9 m -94.93 136.9 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.441 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.52 HG13 ' CG2' ' A' ' 131' ' ' ILE . 0.9 OUTLIER -97.81 89.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 95' ' ' THR . 2.1 mp -103.56 -169.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mt -66.83 110.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 96' ' ' ILE . 7.6 mt -76.29 -40.86 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.52 -170.77 25.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.662 ' HG3' HG23 ' A' ' 95' ' ' THR . 2.1 mt-10 -148.63 151.48 35.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.7 t -145.89 148.88 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.8 tp -144.27 140.59 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.634 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -137.53 96.85 10.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 123.69 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 28.4 mt -83.02 6.41 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.0 t -69.5 64.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 150.46 -27.36 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -65.26 142.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.51 ' O ' ' HE3' ' A' ' 125' ' ' MET . 0.0 OUTLIER -119.87 129.39 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 15' ' ' LEU . 56.8 mt -113.85 10.01 17.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.459 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t -51.04 -62.03 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -45.05 -62.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 175.51 -137.46 3.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.25 143.94 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.51 ' HE3' ' O ' ' A' ' 119' ' ' GLU . 16.7 ptp -129.61 148.21 51.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -100.92 134.5 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.782 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.4 mtm -142.49 156.29 45.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -135.02 159.82 40.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -147.8 144.45 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -85.49 148.32 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.52 ' CG2' HG13 ' A' ' 96' ' ' ILE . 12.2 mt -106.1 118.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.89 -171.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.3 mm? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.447 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -165.5 -165.97 23.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 11' ' ' LEU . 98.2 m -118.19 170.29 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 0.717 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.955 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -137.9 122.73 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.955 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.3 m-85 -106.11 139.04 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -166.4 174.67 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.61 ' HB3' HD22 ' A' ' 126' ' ' LEU . 2.8 p -149.35 143.26 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 92' ' ' LEU . 4.5 mt -104.51 145.45 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -157.12 129.56 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.4 t80 -101.0 131.47 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.77 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 32.8 t-20 -75.51 58.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 85.9 m-85 -35.12 -49.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.64 -49.92 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.2 mtp85 -109.88 22.93 15.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 36.92 67.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.77 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.09 170.89 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.9 t80 -111.77 137.34 49.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG12 HG23 ' A' ' 76' ' ' THR . 2.2 t -129.15 114.95 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.595 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 78.5 t -109.03 98.42 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 9.2 t-20 -83.47 133.48 34.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.008 HG21 HG21 ' A' ' 62' ' ' THR . 17.4 mt -112.73 99.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' ILE . 3.1 tttp -61.17 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.47 174.44 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.92 128.69 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.22 139.51 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 92.7 48.0 3.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 46' ' ' PRO . 8.4 mt -99.66 119.6 59.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.52 14.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.32 145.6 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.419 ' CE ' HG12 ' A' ' 108' ' ' ILE . 9.9 mmt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.434 ' CE ' HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.509 0.195 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.552 HG21 ' HB3' ' A' ' 67' ' ' LYS . 6.0 t -130.16 -176.0 3.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.472 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 3.1 p -165.55 176.04 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.01 68.11 63.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.5 Cg_endo -74.94 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.048 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 1.3 p90 -175.95 142.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.3 153.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 93' ' ' HIS . 13.3 mttt -120.65 128.87 53.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.695 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.6 tmm? -95.94 148.14 22.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.509 ' CG2' ' HG2' ' A' ' 56' ' ' LYS . 97.1 m -155.81 125.65 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 58' ' ' HIS . 6.8 mt -85.6 97.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 11.7 mt -87.63 157.16 52.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -43.93 0.62 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.02 -0.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.659 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -12.01 -66.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER 80.85 1.59 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -70.18 -55.86 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.66 73.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LYS . 12.1 ttmt -97.33 121.92 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.695 HG23 ' HB3' ' A' ' 50' ' ' MET . 13.5 m -141.07 145.55 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.29 148.18 47.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 28' ' ' ILE . 12.0 p -87.22 143.43 27.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.583 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 3.1 ttm180 -38.05 138.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -105.85 95.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.4 mt -55.0 169.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 64' ' ' VAL . 21.9 mmt-85 -117.78 123.8 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 43' ' ' THR . 4.1 mttt 58.81 89.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 8.0 t -177.16 119.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' CE ' ' A' ' 42' ' ' MET . 6.2 mt -76.9 -26.65 54.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -123.73 75.58 55.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.98 139.91 24.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.485 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.91 97.03 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.8 m-85 -84.66 -39.6 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.38 48.91 2.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.6 mm-40 -88.8 170.62 10.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.57 HG23 HG12 ' A' ' 25' ' ' VAL . 15.5 m -152.74 131.61 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.438 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -121.46 131.49 54.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -102.83 155.42 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 78' ' ' THR . 26.4 m-85 -151.48 121.24 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.401 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 49.2 m-85 -104.44 148.22 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.2 -24.21 8.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.644 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.7 mp -66.73 121.97 80.01 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.05 15.77 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.585 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.2 t80 68.55 -56.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -57.75 -15.67 8.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -88.71 -15.14 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.644 ' CD1' HG21 ' A' ' 82' ' ' ILE . 14.2 mm -51.75 -47.17 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.34 -11.19 20.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.71 10.06 40.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 70.5 mt -110.25 -172.37 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.98 131.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.674 HD22 ' SD ' ' A' ' 50' ' ' MET . 13.5 mt -98.99 137.35 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 35.9 t-80 -118.1 105.04 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.578 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.441 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 26.1 m-85 -93.42 100.16 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.596 ' O ' HD12 ' A' ' 97' ' ' LEU . 26.0 m -92.01 118.22 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.714 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.7 mp -88.13 88.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 95' ' ' THR . 4.2 mp -94.19 -164.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.59 98.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.693 ' HB ' HG22 ' A' ' 96' ' ' ILE . 72.0 mt -67.21 -32.06 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.501 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -178.89 167.67 38.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.34 136.9 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.6 t -129.39 150.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.5 tp -145.99 143.7 29.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -140.53 96.51 7.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.04 7.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 11.4 mt -76.7 0.19 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.35 76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 136.49 -41.11 1.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.404 HD12 ' SD ' ' A' ' 125' ' ' MET . 2.6 mm -43.28 139.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -115.86 103.63 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 15' ' ' LEU . 68.3 mt -92.98 -14.32 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 120' ' ' LEU . 1.0 OUTLIER -32.13 -65.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.54 -58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.89 -140.82 6.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -81.64 142.04 33.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.404 ' SD ' HD12 ' A' ' 118' ' ' ILE . 13.9 ptp -131.18 140.37 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.699 HD13 ' N ' ' A' ' 127' ' ' MET . 0.7 OUTLIER -94.35 137.4 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.699 ' N ' HD13 ' A' ' 126' ' ' LEU . 8.0 mtm -144.08 154.86 43.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -135.65 140.78 44.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.87 150.52 46.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 149.02 21.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 8' ' ' LEU . 5.4 mt -109.08 113.93 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.401 ' C ' HD12 ' A' ' 132' ' ' ILE . 2.2 pp -127.75 -172.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.91 158.11 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.998 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -163.03 106.94 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.11 109.25 2.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.6 104.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -100.99 157.47 16.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.75 -127.79 2.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.781 ' HB3' HG22 ' A' ' 131' ' ' ILE . 5.1 mt 45.72 76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.656 ' O ' HD12 ' A' ' 131' ' ' ILE . . . -57.85 -153.98 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 11' ' ' LEU . 46.8 m -114.39 169.51 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.967 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -131.5 123.17 27.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.967 ' N ' HD22 ' A' ' 11' ' ' LEU . 20.2 m-85 -105.95 142.66 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.523 ' O ' HD13 ' A' ' 126' ' ' LEU . 11.6 p90 -167.25 160.9 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.951 ' HB3' HD22 ' A' ' 126' ' ' LEU . 3.9 p -138.44 122.06 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -79.32 152.01 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -158.39 141.24 14.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 19' ' ' PHE . 58.9 t80 -122.4 120.91 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.628 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 12.9 t-20 -68.42 68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 96.0 m-85 -47.59 -42.78 24.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -47.92 -48.25 31.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.0 OUTLIER -111.56 22.93 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 110.298 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER 38.47 67.32 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -135.12 163.24 30.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.707 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -104.38 140.01 38.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG1' HG23 ' A' ' 76' ' ' THR . 48.9 t -133.89 122.17 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.707 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 70.7 t -116.69 96.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 11.5 t-20 -84.09 136.32 34.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.959 HG21 HG21 ' A' ' 62' ' ' THR . 2.5 mt -114.59 102.43 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 2.7 tptt -61.55 -139.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.487 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.5 pt-20 -114.19 169.95 8.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.631 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -121.65 130.59 53.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.03 140.02 49.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 9' ' ' GLY . . . 85.73 41.38 7.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.631 HD21 ' HB1' ' A' ' 31' ' ' ALA . 2.1 mt -86.16 129.7 52.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 132.17 15.04 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.517 1.798 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.59 151.31 41.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmt -123.59 -41.47 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.92 144.52 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -107.76 60.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -122.17 -68.78 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.53 36.14 4.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.91 58.52 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 67' ' ' LYS . 10.1 t -159.36 177.38 11.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.503 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.12 176.45 8.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.54 73.67 11.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.03 159.92 40.66 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.471 1.774 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.746 ' HB3' HG22 ' A' ' 64' ' ' VAL . 11.0 p90 -157.53 136.71 11.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.517 HD13 ' HG ' ' A' ' 11' ' ' LEU . 45.8 mt -91.77 130.54 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -95.35 135.87 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.815 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.6 ttp -104.14 140.66 37.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.3 m -154.65 135.58 13.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 58' ' ' HIS . 42.2 mt -95.32 95.55 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD13 ' HB2' ' A' ' 56' ' ' LYS . 2.3 mm? -86.76 157.2 55.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.643 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.01 -43.86 0.63 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.643 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -15.5 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.581 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.4 tttt 72.25 12.64 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.01 -80.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.532 ' HB2' HD12 ' A' ' 52' ' ' ILE . 69.7 m-70 -51.26 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.0 OUTLIER -102.22 125.0 48.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 50' ' ' MET . 19.1 m -148.26 153.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 157.38 45.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.959 HG21 HG21 ' A' ' 28' ' ' ILE . 73.5 p -89.6 144.49 25.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -38.22 147.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.746 HG22 ' HB3' ' A' ' 47' ' ' TYR . 3.0 t -95.15 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.4 mm? -56.31 178.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' LYS . 6.8 mmt-85 -130.39 113.47 14.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.684 ' HB3' HG21 ' A' ' 43' ' ' THR . 48.7 mttt 48.56 97.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER 174.61 114.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.445 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -77.27 0.53 21.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 71' ' ' PRO . 21.9 t0 -142.8 64.35 14.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.834 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 150.99 38.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.487 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -127.95 106.97 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -91.37 -41.53 10.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' ASP . 32.0 t0 39.7 50.83 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.7 mt-10 -89.05 176.28 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.48 HG23 ' CG1' ' A' ' 25' ' ' VAL . 2.6 m -158.93 131.31 6.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.82 133.73 53.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.542 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.6 m -101.98 156.21 17.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 78' ' ' THR . 21.6 m-85 -153.8 137.87 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.405 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 97.1 m-85 -120.65 145.89 46.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.69 -25.6 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.628 HD13 ' HB2' ' A' ' 24' ' ' PHE . 2.0 mp -65.54 123.44 84.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.591 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.1 Cg_endo -75.06 14.48 0.86 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.591 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 18.1 t80 67.34 -56.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 69.3 p -55.54 -17.5 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -85.0 -15.97 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.807 HD13 HD12 ' A' ' 90' ' ' LEU . 27.2 mm -52.39 -38.91 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.48 -9.01 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -113.06 13.22 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 87' ' ' ILE . 81.3 mt -106.58 178.96 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.92 129.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -90.73 113.54 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.479 ' HB2' HD23 ' A' ' 53' ' ' LEU . 19.8 t-80 -95.58 105.62 17.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -97.34 108.02 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.526 ' O ' HD12 ' A' ' 97' ' ' LEU . 20.9 m -99.06 117.66 34.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.606 HD13 HG12 ' A' ' 131' ' ' ILE . 4.9 mp -90.07 88.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -96.21 -165.49 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -153.27 110.06 3.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -96.47 141.01 30.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -165.29 64.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.602 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 45.08 -170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.602 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 60.3 m-85 44.98 25.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 40.15 83.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -114.7 120.75 41.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.94 96.54 6.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.44 85.5 2.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.518 HG13 HD23 ' A' ' 97' ' ' LEU . 24.6 mt -63.46 104.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.488 HG22 HD22 ' A' ' 8' ' ' LEU . 13.3 mt -65.42 -30.02 48.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . 177.55 169.96 39.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -123.24 135.2 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 11' ' ' LEU . 2.5 t -126.1 144.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 tp -140.08 140.8 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 113' ' ' ILE . 2.8 tp -139.38 94.58 9.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.15 5.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.617 HD11 HD21 ' A' ' 92' ' ' LEU . 29.7 mt -74.96 -1.08 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 39.6 t -64.23 91.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.61 -30.4 5.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.467 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.7 mm -57.85 147.8 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -122.09 102.97 8.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 15' ' ' LEU . 11.4 mt -93.88 -17.34 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 54.8 p -37.36 -57.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.61 -46.9 7.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 159.69 -141.32 7.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -90.84 141.04 29.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.467 ' CE ' HG23 ' A' ' 118' ' ' ILE . 14.8 ptp -134.38 140.45 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.951 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -87.65 140.33 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.562 ' HE3' HG12 ' A' ' 113' ' ' ILE . 6.3 mtm -143.73 155.76 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.88 159.66 40.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -144.91 143.42 30.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -87.81 141.0 28.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.781 HG22 ' HB3' ' A' ' 8' ' ' LEU . 6.9 mt -99.01 121.42 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.65 ' HA ' HD12 ' A' ' 8' ' ' LEU . 2.2 pp -134.16 -172.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t -86.35 79.59 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.422 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 59.73 156.82 0.03 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 66.19 6.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.97 104.71 8.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 72.6 m 46.25 92.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.64 148.79 44.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 p -156.07 -54.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.85 -176.01 19.0 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -51.01 134.6 26.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.05 167.86 21.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.9 169.53 20.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 HD22 ' CG2' ' A' ' 108' ' ' ILE . 83.8 mt -117.85 -91.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -161.36 -160.84 11.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 11' ' ' LEU . 72.6 m -124.47 171.46 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 110.451 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.982 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -138.38 122.57 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.982 ' N ' HD22 ' A' ' 11' ' ' LEU . 19.0 m-85 -106.86 143.39 35.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.765 ' O ' HD13 ' A' ' 126' ' ' LEU . 7.1 p90 -170.83 171.06 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.037 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.98 ' HB3' HD22 ' A' ' 126' ' ' LEU . 2.6 p -147.7 131.78 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -90.79 144.62 25.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.5 tt0 -155.62 125.35 6.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 67.8 t80 -102.84 128.81 49.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.495 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 20.0 t30 -75.28 85.99 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.4 -47.99 75.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.39 -59.62 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.6 mtp180 -101.61 23.79 10.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 35.38 70.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -133.67 171.21 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.647 ' HB3' HD13 ' A' ' 82' ' ' ILE . 4.7 t80 -116.52 128.19 55.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.767 HG12 HG23 ' A' ' 76' ' ' THR . 2.5 t -118.57 126.36 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.644 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 61.2 t -114.53 94.56 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 10.9 t-20 -79.96 125.99 30.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.603 HG21 HG21 ' A' ' 62' ' ' THR . 86.2 mt -108.19 100.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.6 tttp -61.12 -136.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.44 172.46 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.58 137.48 52.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.9 47.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.769 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.22 46.67 1.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 33' ' ' GLY . 2.3 mt -107.57 115.61 59.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.59 12.48 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.65 157.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.3 mmt -114.62 -25.39 8.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.52 -174.6 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.06 -58.21 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -38.19 -47.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.2 OUTLIER -127.94 113.96 16.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.982 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.402 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -61.94 78.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.835 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.2 t -176.13 171.06 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.528 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.5 p -165.71 176.62 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.416 ' HB3' HG13 ' A' ' 64' ' ' VAL . 45.6 m-20 -118.23 72.97 9.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.03 149.21 36.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 9.2 p90 -145.84 138.84 25.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.3 mt -91.54 133.21 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' A' ' 61' ' ' LYS . 14.7 mttt -105.07 124.13 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.753 ' HB3' HG23 ' A' ' 60' ' ' VAL . 5.0 ttp -96.6 149.8 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 59' ' ' LYS . 97.9 m -155.12 129.43 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.536 HD12 ' HB2' ' A' ' 58' ' ' HIS . 22.5 mt -85.9 90.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD12 ' HB2' ' A' ' 93' ' ' HIS . 55.9 mt -86.25 157.27 56.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.363 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.03 -22.73 13.58 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 54' ' ' PRO . 15.6 mt-10 -25.62 -64.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 tttt 74.84 3.76 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -73.3 -66.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HB2' HD12 ' A' ' 52' ' ' ILE . 50.8 m-70 -62.47 94.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HG2' HG23 ' A' ' 51' ' ' THR . 0.3 OUTLIER -108.94 119.48 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.753 HG23 ' HB3' ' A' ' 50' ' ' MET . 14.3 m -137.62 145.03 29.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -124.97 156.83 37.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.254 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.603 HG21 HG21 ' A' ' 28' ' ' ILE . 40.5 p -90.2 146.76 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -42.42 147.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 45' ' ' ASP . 12.7 t -90.33 98.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.806 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.3 mm? -54.91 166.03 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -121.29 125.76 47.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.835 ' HG2' HG21 ' A' ' 43' ' ' THR . 14.4 mttt 42.91 84.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 68' ' ' THR . 1.0 OUTLIER -177.83 119.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.5 mm? -74.88 -28.46 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -116.15 87.43 19.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.806 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.94 159.57 41.38 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.74 90.62 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.485 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 2.4 m-85 -80.69 -43.09 20.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 73' ' ' PHE . 61.7 t0 38.04 43.95 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.7 mm-40 -87.95 -178.25 5.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.767 HG23 HG12 ' A' ' 25' ' ' VAL . 3.9 m -156.24 123.73 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 41.7 m-85 -115.28 127.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.532 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -98.82 157.49 16.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 32.6 m-85 -155.99 119.37 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -95.23 155.58 16.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.87 -44.43 1.5 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.732 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.4 mp -49.77 114.06 3.87 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.66 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.547 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 23.2 t80 67.23 -57.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' PRO . 70.5 p -55.63 -17.51 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -88.39 -11.91 44.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.732 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.7 mm -56.17 -36.92 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -69.25 -6.05 26.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -111.22 9.91 21.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 69.6 mt -109.13 -175.63 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -178.0 124.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.559 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.7 mt -88.04 132.42 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.746 ' HB2' HD12 ' A' ' 53' ' ' LEU . 36.7 t-80 -115.66 106.94 14.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -97.91 122.64 41.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.551 ' O ' HD12 ' A' ' 97' ' ' LEU . 41.8 m -115.18 120.59 40.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.747 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -90.22 87.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.4 mp -92.28 -163.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.89 103.48 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -87.13 106.95 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 101' ' ' ARG . 12.0 m-20 -92.37 48.51 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER 33.77 42.18 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -153.6 26.19 0.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' ARG . 0.3 OUTLIER 73.51 -57.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.046 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' SER . 16.0 mmt-85 -36.98 126.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.93 130.88 54.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.76 100.7 9.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.491 HG13 HD23 ' A' ' 97' ' ' LEU . 32.9 mt -63.97 108.54 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.715 ' CG2' HD22 ' A' ' 8' ' ' LEU . 12.1 mt -76.49 -46.96 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.27 167.98 35.12 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -122.43 131.97 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.47 HG11 HD12 ' A' ' 11' ' ' LEU . 55.2 t -125.29 138.53 54.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tp -134.94 142.67 46.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.675 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.2 tp -140.73 96.97 7.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 120.2 5.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.759 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.4 mt -77.79 2.22 17.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.0 t -68.1 91.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.86 -28.76 5.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.0 mm -65.3 149.15 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.254 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.513 ' O ' ' CE ' ' A' ' 125' ' ' MET . 0.0 OUTLIER -126.06 140.19 52.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.451 HD21 ' HB2' ' A' ' 15' ' ' LEU . 34.3 mt -126.68 14.72 7.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -62.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -46.53 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 164.31 -139.0 5.59 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -96.73 146.11 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.8 ptp -132.79 160.92 35.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.98 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -105.35 140.26 38.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.456 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.5 mtm -142.75 150.35 39.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -135.37 162.85 31.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.49 146.01 23.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.61 146.3 32.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.428 HD12 ' CA ' ' A' ' 10' ' ' THR . 8.8 mt -106.13 125.1 61.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.643 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -139.78 -172.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.0 t -93.65 76.55 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.643 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 73.41 153.16 2.4 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.03 40.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.453 1.765 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.18 -59.76 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 m -108.55 169.73 8.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -117.14 160.55 20.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -104.66 98.32 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.069 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.8 112.89 1.66 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -132.34 144.0 50.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 0.779 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.72 84.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.38 136.64 0.86 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.848 ' HB2' HG22 ' A' ' 131' ' ' ILE . 3.3 mm? -84.44 10.18 11.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.594 ' C ' HD12 ' A' ' 131' ' ' ILE . . . 116.45 -177.03 16.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 11' ' ' LEU . 59.3 m -117.25 167.77 10.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.966 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.05 122.15 20.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.966 ' N ' HD22 ' A' ' 11' ' ' LEU . 33.9 m-85 -107.79 136.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -160.31 173.38 15.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.8 129.81 14.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -89.71 136.27 33.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.7 tt0 -144.7 127.04 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -104.87 134.7 47.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.765 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 12.7 t-20 -83.4 60.75 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 17.5 m-85 -41.59 -50.28 4.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -45.8 -47.83 15.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 22' ' ' LYS . 7.1 mtp180 -107.26 22.81 15.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.5 mmtt 37.18 69.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.765 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -142.02 172.76 12.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.761 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.9 t80 -121.3 140.08 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.898 HG13 ' O ' ' A' ' 77' ' ' PHE . 4.1 t -131.2 128.67 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.761 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 44.5 t -115.58 93.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -76.57 127.92 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.53 HG21 HG21 ' A' ' 62' ' ' THR . 5.4 mt -108.43 99.56 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.21 -137.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 10.8 pt-20 -113.87 175.0 5.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.59 154.34 46.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.66 143.12 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.256 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 94.82 32.32 7.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD12 ' CD ' ' A' ' 71' ' ' PRO . 6.4 mt -92.6 120.38 67.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.77 15.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.47 114.53 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.425 ' HG3' HD11 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -73.64 -40.54 63.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.72 170.13 8.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' SER . 16.1 mm-40 -93.59 -109.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 67.2 -64.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -150.04 33.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.06 61.8 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.443 HG21 ' HG2' ' A' ' 67' ' ' LYS . 5.0 t -165.77 176.99 7.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.53 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.6 p -165.68 176.53 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' A' ' 64' ' ' VAL . 48.8 m-20 -117.96 73.24 9.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.95 145.42 31.62 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.536 1.809 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.702 ' CB ' HG12 ' A' ' 64' ' ' VAL . 38.0 p90 -142.49 139.17 31.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.5 mt -93.16 136.52 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -103.36 155.96 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.658 ' HB3' HG23 ' A' ' 60' ' ' VAL . 6.0 ttp -123.74 150.04 44.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.633 HG22 HD22 ' A' ' 53' ' ' LEU . 14.9 m -160.49 138.09 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.583 HG23 ' HG ' ' A' ' 90' ' ' LEU . 8.1 mt -96.37 92.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.633 HD22 HG22 ' A' ' 51' ' ' THR . 3.4 mm? -83.91 156.42 64.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.0 -24.49 11.32 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.051 -0.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.57 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -24.4 -68.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.594 ' HG3' HG21 ' A' ' 51' ' ' THR . 53.0 tttt 81.08 -2.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.0 mmtt -66.67 -84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -47.44 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.646 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -111.71 124.21 51.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.658 HG23 ' HB3' ' A' ' 50' ' ' MET . 12.3 m -137.41 146.18 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -125.27 163.09 23.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.53 HG21 HG21 ' A' ' 28' ' ' ILE . 21.6 p -102.92 155.34 18.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.11 125.63 25.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.702 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -77.2 128.54 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.8 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -72.56 167.55 20.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -111.1 116.43 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HG2' HG21 ' A' ' 43' ' ' THR . 18.1 mttt 53.75 82.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 t -175.28 126.79 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 69' ' ' LEU . 3.0 mm? -83.92 -20.61 32.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.4 p-10 -118.63 80.2 16.88 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.8 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -75.04 148.35 35.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -128.72 92.37 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 3.6 m-85 -81.83 -45.98 14.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.3 t70 42.24 43.81 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.16 -177.67 6.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.501 HG23 ' CG1' ' A' ' 25' ' ' VAL . 3.1 m -160.97 126.76 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.898 ' O ' HG13 ' A' ' 25' ' ' VAL . 27.0 m-85 -112.35 162.14 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.554 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 5.2 m -132.23 154.08 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 78' ' ' THR . 24.2 m-85 -156.51 129.07 7.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.407 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 94.2 m-85 -111.88 143.93 42.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 120.69 -22.35 8.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.594 HG22 ' H ' ' A' ' 84' ' ' TYR . 3.0 mp -64.76 117.78 41.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.572 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.03 17.19 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.8 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.594 ' H ' HG22 ' A' ' 82' ' ' ILE . 19.3 t80 66.4 -56.53 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.4 p -55.37 -17.85 5.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.61 -13.73 50.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.527 HD11 HG21 ' A' ' 82' ' ' ILE . 16.6 mm -56.39 -54.77 24.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.41 -30.76 20.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -82.73 -26.52 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.583 ' HG ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -66.7 -170.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 176.16 120.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 15' ' ' LEU . 12.8 mt -84.26 143.05 29.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.468 ' HB2' HD23 ' A' ' 53' ' ' LEU . 30.4 t-80 -126.23 105.3 8.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 11' ' ' LEU . 23.1 m-85 -93.44 115.48 28.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 m -108.62 122.49 47.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.85 91.18 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.494 HD23 HG13 ' A' ' 107' ' ' ILE . 4.4 mp -98.33 -164.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 37' ' ' MET . 32.9 t -152.72 133.43 13.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -110.3 139.98 44.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.96 58.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.445 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER 65.43 -83.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 77.8 m-85 -89.66 -50.59 5.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.2 m -71.37 62.68 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -110.64 154.08 24.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 104' ' ' ARG . 9.5 t70 78.74 8.21 2.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.36 89.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.494 HG13 HD23 ' A' ' 97' ' ' LEU . 36.8 mt -63.09 121.05 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.425 HD11 ' HG3' ' A' ' 37' ' ' MET . 23.0 mt -96.0 -31.56 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -167.36 170.81 41.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.77 135.69 49.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 0.718 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.441 HG11 HD12 ' A' ' 11' ' ' LEU . 8.9 t -131.92 145.31 35.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.9 tp -143.36 142.11 31.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -139.65 97.88 8.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.13 6.38 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.466 1.772 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.3 mt -73.48 -3.84 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.1 t -55.68 97.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.93 -29.7 9.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.689 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.9 mm -50.78 140.79 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 6.5 pt-20 -118.13 116.86 27.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 15' ' ' LEU . 67.1 mt -108.61 -11.84 15.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 13.0 t -48.57 -56.02 9.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -46.85 -38.64 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . 144.0 155.68 6.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.1 OUTLIER -39.86 143.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.689 ' CE ' HG23 ' A' ' 118' ' ' ILE . 2.7 ptt? -135.87 154.46 51.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 127' ' ' MET . 0.6 OUTLIER -93.41 138.66 31.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.666 ' N ' HD13 ' A' ' 126' ' ' LEU . 1.7 mtm -142.21 146.73 35.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.36 165.22 21.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.5 147.43 24.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -88.65 144.64 26.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.848 HG22 ' HB2' ' A' ' 8' ' ' LEU . 7.2 mt -106.21 114.36 45.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.606 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.2 pp -123.48 -172.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.2 t -82.95 70.44 9.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.606 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 67.84 156.49 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 121.57 6.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.5 t -176.62 111.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.73 106.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.29 95.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -174.65 103.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.66 -158.76 8.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -161.73 -53.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.87 114.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.51 151.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.654 ' HB3' HG22 ' A' ' 131' ' ' ILE . 9.4 mt -82.1 -28.08 32.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 121.19 177.41 15.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.2 m -117.02 159.25 22.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.97 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -125.35 122.07 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.97 ' N ' HD22 ' A' ' 11' ' ' LEU . 11.5 m-85 -104.92 137.19 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' O ' HD13 ' A' ' 126' ' ' LEU . 9.8 p90 -166.03 167.57 16.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.6 ' HB2' HD22 ' A' ' 126' ' ' LEU . 29.5 t -142.26 146.0 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 120' ' ' LEU . 4.7 mt -106.4 142.38 36.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -153.56 122.13 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 54.1 t80 -99.78 131.96 45.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.513 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 8.0 t-20 -76.53 95.3 3.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -72.09 -32.0 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.57 -43.85 95.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' LYS . 2.8 mtp85 -114.08 21.49 14.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' ASN . 3.7 mmtt 36.99 69.96 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.75 177.93 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 4.9 t80 -122.53 138.19 54.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.76 HG12 HG23 ' A' ' 76' ' ' THR . 2.4 t -131.68 123.82 52.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 85.1 t -114.51 88.36 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -68.82 131.32 44.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.648 HG21 HG21 ' A' ' 62' ' ' THR . 4.6 mt -110.51 100.19 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -63.27 -141.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -114.29 167.92 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.02 139.56 52.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.68 142.39 51.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 9' ' ' GLY . . . 85.04 50.89 3.95 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD22 ' CD ' ' A' ' 71' ' ' PRO . 5.0 mp -99.1 125.2 42.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 139.88 24.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.58 144.63 47.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.7 mmt -98.35 -48.76 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -87.09 162.08 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -115.11 63.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -113.6 -69.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -131.68 43.55 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.403 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.1 OUTLIER 39.98 55.1 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.7 HG21 ' HG2' ' A' ' 67' ' ' LYS . 14.8 t -156.88 160.41 39.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.525 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.1 m -156.52 176.45 12.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -118.84 72.47 11.3 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.98 168.04 25.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.729 ' CB ' HG12 ' A' ' 64' ' ' VAL . 36.3 p90 -165.56 138.71 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.4 mt -91.87 141.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HD2' HD13 ' A' ' 97' ' ' LEU . 8.9 mttt -113.51 126.41 55.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.538 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.2 tmm? -96.21 148.85 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.633 HG23 ' HG2' ' A' ' 59' ' ' LYS . 98.8 m -157.93 129.22 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 3.4 mt -87.41 101.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.573 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 26.5 mt -90.36 158.32 43.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.631 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -75.01 -39.94 1.33 Allowed 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.971 0.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.631 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -16.58 -63.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HG3' HG21 ' A' ' 51' ' ' THR . 2.6 tttt 74.02 13.6 4.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -71.16 -78.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -52.79 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.595 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.633 ' HG2' HG23 ' A' ' 51' ' ' THR . 50.1 mtpt -106.35 116.03 31.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.7 m -128.51 148.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -128.2 148.82 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.648 HG21 HG21 ' A' ' 28' ' ' ILE . 64.2 p -88.53 142.32 27.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 124.3 16.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.729 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -74.14 128.03 36.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.773 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -71.93 170.9 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -112.67 129.69 56.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.7 ' HG2' HG21 ' A' ' 43' ' ' THR . 10.7 mttt 40.26 88.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 7.5 t -175.31 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mt -97.26 7.82 45.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.29 85.68 4.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.773 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 149.74 37.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.8 89.65 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' ASP . 3.1 m-85 -78.03 -43.5 29.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' PHE . 6.2 p-10 37.5 42.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.97 179.17 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.76 HG23 HG12 ' A' ' 25' ' ' VAL . 2.8 m -152.49 126.99 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -116.78 120.15 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.1 m -96.81 141.96 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.449 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -135.94 121.19 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -101.91 131.25 48.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.9 -44.86 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.691 HG21 ' CD1' ' A' ' 87' ' ' ILE . 3.9 mp -43.9 117.53 2.69 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.575 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.97 15.7 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.598 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.1 t80 68.65 -56.76 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 111.051 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.7 p -57.14 -16.19 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -89.14 -11.29 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.691 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.6 mm -56.41 -53.19 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 116' ' ' SER . 20.5 mt-30 -49.89 -24.54 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.13 -24.87 18.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -66.76 -177.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 179.65 131.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.621 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -93.96 132.6 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.509 ' HB2' HD12 ' A' ' 53' ' ' LEU . 29.1 t-80 -115.43 104.52 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -97.71 112.55 24.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 97' ' ' LEU . 47.7 m -107.96 121.86 45.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.459 HG22 ' HB ' ' A' ' 108' ' ' ILE . 5.3 mp -90.15 92.74 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.1 mp -94.51 -166.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 12.0 t -156.1 119.77 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 100' ' ' ASP . 10.3 t80 -88.4 137.42 32.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 9.4 m-20 -170.26 74.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.522 ' HD3' ' CE2' ' A' ' 102' ' ' PHE . 1.4 mmt85 41.0 87.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CE2' ' HD3' ' A' ' 101' ' ' ARG . 8.1 m-85 39.09 67.86 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.79 20.98 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 55.55 41.31 30.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.04 94.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.76 87.77 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 42.1 mt -70.34 124.77 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.599 ' CG2' HD22 ' A' ' 8' ' ' LEU . 18.6 mt -93.4 -43.59 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.76 160.04 33.39 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.75 139.66 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.43 HG11 HD12 ' A' ' 11' ' ' LEU . 6.9 t -134.75 149.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -150.71 142.91 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -139.33 98.26 8.26 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.4 10.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.621 HD21 ' CD2' ' A' ' 92' ' ' LEU . 21.8 mt -82.04 6.43 16.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -70.97 57.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 109.978 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.84 -33.38 0.39 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -68.62 136.89 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.363 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 7.0 pt-20 -121.38 124.45 44.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 15' ' ' LEU . 3.4 mt -107.36 -1.66 21.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.9 -36.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.5 -55.37 10.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.96 -144.65 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -89.66 145.38 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 8.8 ptp -141.0 138.31 33.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' A' ' 14' ' ' SER . 0.0 OUTLIER -80.02 142.3 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.582 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.9 OUTLIER -142.3 146.99 35.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.74 135.75 40.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.21 148.24 49.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.61 147.22 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.654 HG22 ' HB3' ' A' ' 8' ' ' LEU . 7.4 mt -103.55 128.62 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.491 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.0 pp -142.92 -171.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t -86.16 73.58 10.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.491 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 67.71 151.88 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 60.95 5.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 13.9 t -171.75 123.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.4 151.76 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.987 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.7 146.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -162.89 168.93 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.034 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.04 -77.31 0.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p 46.77 74.01 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -159.78 163.79 34.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.42 119.41 5.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.638 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.3 mm? -54.56 -77.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.474 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -176.65 -158.55 20.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 11' ' ' LEU . 94.2 m -119.41 174.12 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD22 ' C ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -144.64 115.95 8.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.681 ' N ' HD22 ' A' ' 11' ' ' LEU . 14.1 m-85 -99.43 138.7 36.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -165.37 171.7 13.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.16 146.99 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.84 HD21 ' CD1' ' A' ' 92' ' ' LEU . 5.7 mt -111.06 146.13 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.6 tp10 -157.45 137.48 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 39.5 t80 -112.08 121.29 44.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.829 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 54.0 t-20 -69.72 74.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 2.6 m-85 -49.4 -45.85 46.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -43.53 -50.84 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 22' ' ' LYS . 14.7 mtp180 -112.19 25.67 11.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 35.64 67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.829 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.65 167.42 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.678 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.7 t80 -112.53 135.43 53.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG1' HG23 ' A' ' 76' ' ' THR . 22.6 t -127.4 122.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.678 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 79.5 t -116.4 95.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -78.25 140.61 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.598 HG21 HG21 ' A' ' 62' ' ' THR . 8.2 mt -117.87 100.08 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HE3' HD21 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -61.64 -137.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.483 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.38 175.57 5.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -128.57 131.54 48.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.61 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.699 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 91.22 61.46 1.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 33' ' ' GLY . 8.1 mt -115.63 124.04 30.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.75 15.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 110.954 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.02 141.13 56.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 108' ' ' ILE . 13.3 mmt -92.47 -39.57 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.78 177.81 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.45 -50.65 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -40.75 -42.68 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 43' ' ' THR . 0.5 OUTLIER -132.62 120.82 22.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.97 69.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.856 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.0 t -168.12 170.2 10.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.392 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.502 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.48 176.86 7.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' HB3' HG13 ' A' ' 64' ' ' VAL . 55.9 m-20 -121.32 71.4 24.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -74.99 149.34 36.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 97' ' ' LEU . 46.5 p90 -141.92 138.03 31.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.637 HD11 ' HB2' ' A' ' 31' ' ' ALA . 22.2 mt -92.37 144.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -106.09 160.6 15.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.797 ' HB3' HG23 ' A' ' 60' ' ' VAL . 2.5 ttp -135.97 129.66 32.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.513 HG22 HD22 ' A' ' 53' ' ' LEU . 8.3 m -141.67 137.28 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.2 mt -91.41 91.91 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.625 HD11 ' HG3' ' A' ' 56' ' ' LYS . 3.2 mm? -84.86 156.3 61.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -24.33 11.53 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.979 0.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -23.88 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.625 ' HG3' HD11 ' A' ' 53' ' ' LEU . 12.1 tttt 78.84 2.95 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' LYS . 1.9 mmtt -69.19 -90.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -44.43 96.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 57' ' ' LYS . 1.3 mtpt -105.04 119.46 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.797 HG23 ' HB3' ' A' ' 50' ' ' MET . 17.4 m -134.65 149.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.96 162.26 32.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.598 HG21 HG21 ' A' ' 28' ' ' ILE . 19.4 p -91.79 164.96 13.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -59.46 165.3 2.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.49 HG22 ' HB3' ' A' ' 47' ' ' TYR . 12.4 t -107.97 100.25 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.863 HD23 ' CB ' ' A' ' 71' ' ' PRO . 1.9 mm? -58.21 165.38 2.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -120.29 128.58 53.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.856 ' HG2' HG21 ' A' ' 43' ' ' THR . 18.2 mttt 43.79 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -177.56 139.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.376 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 34' ' ' LEU . 6.6 mt -93.22 -22.89 18.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' ALA . 4.9 m-20 -119.73 87.59 37.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.863 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 136.35 20.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -116.3 93.32 4.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 71' ' ' PRO . 2.9 m-85 -83.26 -45.09 14.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' PHE . 4.2 m-20 39.64 44.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.7 -178.57 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 ' CG1' ' A' ' 25' ' ' VAL . 19.4 m -159.05 127.24 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -115.91 135.18 54.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.409 ' C ' ' CG ' ' A' ' 79' ' ' PHE . 3.6 m -103.03 157.5 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.439 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CG ' ' C ' ' A' ' 78' ' ' THR . 36.9 m-85 -155.2 125.69 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -103.27 153.0 20.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.27 -57.9 0.87 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.459 ' CG2' HD11 ' A' ' 90' ' ' LEU . 2.9 mp -44.96 109.32 0.88 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.96 134.54 18.0 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.48 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 19.5 t80 -47.83 -28.78 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.7 p -69.69 -23.59 63.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -84.67 -20.77 30.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.582 HD13 HD12 ' A' ' 90' ' ' LEU . 12.8 mm -50.71 -45.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -61.42 -12.59 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.5 10.21 25.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.582 HD12 HD13 ' A' ' 87' ' ' ILE . 76.3 mt -107.16 -178.46 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -175.22 124.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.84 ' CD1' HD21 ' A' ' 15' ' ' LEU . 15.1 mt -89.47 136.71 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.448 ' HB2' HD23 ' A' ' 53' ' ' LEU . 25.3 t-80 -117.32 106.13 12.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.448 ' CD2' ' CD1' ' A' ' 11' ' ' LEU . 29.2 m-85 -93.06 114.79 27.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.673 HG22 ' CD2' ' A' ' 97' ' ' LEU . 22.9 m -109.44 117.57 34.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.0 mp -87.49 98.2 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.673 ' CD2' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -88.97 -171.45 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.839 ' OG ' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -152.8 101.99 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.962 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.464 ' CG ' ' N ' ' A' ' 100' ' ' ASP . 87.7 t80 -100.13 171.83 7.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.464 ' N ' ' CG ' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -179.86 -70.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.6 mtp-105 -147.43 -50.66 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -144.59 54.22 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.2 p -77.64 -19.25 55.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.033 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 48.61 59.24 4.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 48.15 95.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.98 82.99 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.596 HG23 HG22 ' A' ' 95' ' ' THR . 39.5 mt -60.4 105.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.839 HD11 ' OG ' ' A' ' 98' ' ' SER . 80.4 mt -64.26 -43.46 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.75 177.04 34.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -128.96 140.21 51.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.2 t -136.32 143.8 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 tp -136.96 147.83 46.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.7 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.6 tp -145.44 95.68 4.97 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.05 5.9 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.28 1.66 18.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.7 t -63.23 94.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.27 -25.55 9.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.69 140.61 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 0.772 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' C ' ' OE1' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -123.99 134.96 53.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.5 mt -120.73 15.53 11.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -50.78 72.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.24 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 165.5 -140.06 6.16 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.0 146.28 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 0.787 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.8 ptp -132.94 150.79 52.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.633 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -98.01 139.57 33.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.633 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.8 mtm -143.55 151.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.62 144.46 46.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -133.23 146.26 51.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -87.73 142.77 27.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.638 HG22 ' HB2' ' A' ' 8' ' ' LEU . 4.7 mt -101.6 120.26 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -134.35 -172.6 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.2 t -87.02 75.77 9.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.511 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 64.52 156.2 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.07 16.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.81 77.92 9.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 38.5 t -77.53 139.54 39.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.98 154.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 p -166.14 166.08 17.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.027 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.5 74.78 2.45 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.445 1.091 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -146.46 152.1 38.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -116.13 88.88 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.54 132.27 6.25 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.54 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.6 mm? -68.34 -89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.1 -165.95 19.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.2 m -120.23 164.57 16.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.42 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 48' ' ' ILE . 4.4 tp -130.93 139.72 50.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.504 ' N ' HD12 ' A' ' 11' ' ' LEU . 24.3 m-85 -123.37 141.62 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 6.5 p90 -169.45 162.4 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.571 ' HB3' HD22 ' A' ' 126' ' ' LEU . 5.1 p -132.95 124.39 27.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.662 HD21 HD23 ' A' ' 92' ' ' LEU . 2.5 mt -87.92 140.26 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -152.19 118.08 5.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 23' ' ' ALA . 29.6 t80 -103.89 131.87 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.684 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 63.0 t-20 -79.61 122.4 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.8 m-85 -89.73 -32.74 16.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -57.37 -44.33 84.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.0 mtp180 -117.92 23.51 11.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER 36.54 63.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.684 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -120.41 172.21 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.705 ' CB ' HD13 ' A' ' 82' ' ' ILE . 5.3 t80 -125.99 123.22 38.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 HG23 ' A' ' 76' ' ' THR . 2.3 t -115.78 117.74 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 HD23 ' A' ' 15' ' ' LEU . 90.9 t -111.78 90.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 10.5 t-20 -73.06 136.73 45.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' LYS . 11.7 mt -114.02 101.77 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -62.06 -135.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.473 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.3 pt-20 -114.21 174.07 6.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.52 141.49 51.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -134.42 134.41 41.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.349 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 102.99 47.14 1.38 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD23 ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -107.52 116.31 57.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.54 13.36 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.43 1.753 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.82 149.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -39.77 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -95.0 156.25 16.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -112.67 64.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -120.84 -64.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.03 40.59 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 49.23 48.68 20.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.548 HG21 ' HB3' ' A' ' 67' ' ' LYS . 13.1 t -160.88 154.85 22.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.496 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.0 p -139.67 177.69 7.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -116.43 75.88 6.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.496 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.08 153.84 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 8.7 p90 -152.3 137.15 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.667 ' CD1' HD13 ' A' ' 11' ' ' LEU . 11.7 mt -92.78 128.37 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -95.49 125.01 39.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.735 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.8 ttp -96.52 134.45 39.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 56' ' ' LYS . 86.8 m -148.18 125.53 11.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.423 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.67 HD12 ' HB2' ' A' ' 58' ' ' HIS . 61.4 mt -81.45 93.7 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.739 HD12 ' HB2' ' A' ' 93' ' ' HIS . 29.1 mt -86.51 158.45 54.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.532 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.02 -19.88 17.13 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.02 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -28.19 -69.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.639 ' HA ' HG22 ' A' ' 51' ' ' THR . 0.8 OUTLIER 79.4 2.31 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 17.6 mmtt -71.03 -83.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.67 ' HB2' HD12 ' A' ' 52' ' ' ILE . 3.3 m-70 -50.0 92.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.59 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -107.27 129.67 54.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 50' ' ' MET . 9.1 m -140.69 149.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -126.33 168.48 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 p -84.94 178.25 7.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.371 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -74.92 4.06 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 47' ' ' TYR . 41.6 t 50.89 98.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.0 OUTLIER -61.22 163.14 6.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -116.04 107.88 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.548 ' HB3' HG21 ' A' ' 43' ' ' THR . 12.6 mttt 56.62 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.95 114.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.26 -5.13 40.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -141.25 68.35 26.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.804 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 155.3 42.98 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -130.13 102.09 6.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.46 ' CE1' HD23 ' A' ' 65' ' ' LEU . 3.3 m-85 -82.63 -45.62 14.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 40.9 43.07 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -85.51 -175.92 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.67 HG23 HG12 ' A' ' 25' ' ' VAL . 2.9 m -158.12 129.73 6.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 51.4 m-85 -126.23 121.96 34.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.45 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -97.44 158.28 15.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 78' ' ' THR . 36.9 m-85 -155.85 131.86 9.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 32.1 m-85 -110.28 138.26 46.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.5 -31.96 2.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.145 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.751 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.0 mt -63.04 116.11 22.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.99 18.61 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.538 1.809 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.576 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 27.8 t80 67.13 -57.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 83' ' ' PRO . 42.5 p -56.11 -17.73 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 33.0 tt0 -89.21 -11.65 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.751 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.1 mm -56.06 -45.04 80.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -60.2 -13.35 11.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -104.11 10.57 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 83.1 mt -109.52 -177.98 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -176.32 122.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.787 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.7 OUTLIER -83.61 114.38 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.739 ' HB2' HD12 ' A' ' 53' ' ' LEU . 20.9 t-80 -94.03 104.98 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.61 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.497 ' CD2' HD21 ' A' ' 11' ' ' LEU . 28.9 m-85 -96.71 109.84 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 97' ' ' LEU . 22.5 m -102.91 120.29 40.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.1 mp -93.34 87.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 3.8 mp -95.26 -162.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.29 122.92 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -102.36 132.8 48.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.06 -82.1 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 -45.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -89.07 -52.9 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.29 -66.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 38.86 76.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.22 81.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.89 89.0 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.469 HG13 HD23 ' A' ' 97' ' ' LEU . 32.8 mt -65.14 111.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.413 HG22 ' HG ' ' A' ' 8' ' ' LEU . 48.4 mt -79.88 -29.1 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.465 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -173.88 176.95 46.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -130.67 131.96 45.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.612 HG11 HD23 ' A' ' 11' ' ' LEU . 3.3 t -127.77 147.19 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 tp -146.81 139.53 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 113' ' ' ILE . 4.1 tp -134.12 94.73 17.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 92' ' ' LEU . 10.0 mt -77.88 2.61 16.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.1 t -60.41 87.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 122.3 -21.88 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.43 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.4 mm -65.72 148.97 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 125' ' ' MET . 4.5 pt-20 -124.94 122.21 36.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 122' ' ' GLU . 32.4 mt -122.49 46.51 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -67.74 66.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.047 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.525 ' HG3' ' CG ' ' A' ' 19' ' ' PHE . 6.6 mt-10 66.45 8.01 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -108.24 112.97 3.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -79.07 128.71 33.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 12.7 ptp -125.51 137.9 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -83.26 140.22 32.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.628 ' HE3' ' CG1' ' A' ' 113' ' ' ILE . 2.2 mtm -141.65 153.77 44.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 1.2 p30 -136.4 160.82 37.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.51 ' CZ ' HD12 ' A' ' 113' ' ' ILE . 12.6 mmt-85 -146.09 148.83 33.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -96.55 137.92 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.54 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.5 mt -96.6 121.63 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -132.56 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.2 t -86.78 77.7 9.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 59.49 158.07 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 105.8 2.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -67.38 95.72 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 t 62.11 166.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -84.98 162.44 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.01 124.43 3.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.31 134.57 1.82 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.84 155.18 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.41 139.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.98 127.23 3.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD22 HG23 ' A' ' 108' ' ' ILE . 23.2 mt -74.43 -93.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.451 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -161.7 -165.65 18.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 11' ' ' LEU . 56.5 m -121.65 169.07 11.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.894 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.51 118.68 15.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.894 ' N ' HD22 ' A' ' 11' ' ' LEU . 14.5 m-85 -104.94 139.73 39.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.1 p90 -163.83 163.79 23.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.451 ' HB3' HD22 ' A' ' 126' ' ' LEU . 5.0 p -136.5 118.72 15.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -78.62 150.28 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' VAL . 13.1 tt0 -161.97 132.19 4.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 76.8 t80 -111.91 131.66 55.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -79.81 95.33 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.19 -43.8 93.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.41 -56.2 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.4 mtt-85 -103.87 20.11 18.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.0 mttt 36.02 68.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -129.82 169.49 15.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.699 ' CB ' HD13 ' A' ' 82' ' ' ILE . 5.1 t80 -113.4 124.95 53.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.118 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 16' ' ' GLU . 3.1 t -114.54 134.39 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 96.0 t -126.72 94.25 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 76' ' ' THR . 1.0 OUTLIER -82.69 121.4 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.434 HG21 HG21 ' A' ' 62' ' ' THR . 10.2 mt -100.72 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.66 -135.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.33 171.71 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 127.46 41.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -115.0 136.27 53.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.576 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 101.21 50.63 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD12 ' HG2' ' A' ' 46' ' ' PRO . 3.6 mt -103.03 113.46 65.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.67 157.95 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 mmt -114.83 -32.17 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -90.74 167.23 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.9 -18.42 12.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -70.11 -37.5 75.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.5 146.56 44.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.659 ' CE ' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -83.21 46.65 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 12.6 t -146.7 172.01 14.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.456 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -165.15 175.23 9.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -125.07 70.02 60.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.585 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.4 Cg_endo -74.94 169.54 22.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.713 ' CB ' HG12 ' A' ' 64' ' ' VAL . 45.9 p90 -163.71 138.53 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 95' ' ' THR . 70.7 mt -92.99 142.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -112.07 130.57 55.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.596 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.2 tmm? -96.51 149.76 21.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.1 m -156.08 130.35 8.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.769 HD11 ' CD2' ' A' ' 79' ' ' PHE . 5.6 mt -89.96 86.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.914 HD21 ' HD2' ' A' ' 56' ' ' LYS . 79.5 mt -83.08 156.46 66.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.549 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.66 13.68 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.963 0.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.549 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -26.21 -68.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.914 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER 77.7 7.1 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -70.92 -92.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -46.53 94.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' LYS . 13.1 mtpt -105.22 122.56 46.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.596 HG23 ' HB3' ' A' ' 50' ' ' MET . 7.0 m -135.09 154.69 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -130.56 157.76 41.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.517 ' HB ' ' CG ' ' A' ' 73' ' ' PHE . 25.4 p -97.08 131.87 43.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.49 126.81 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.713 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.68 127.46 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.794 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.8 mm? -70.97 170.65 12.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' LYS . 15.6 mmt-85 -111.42 124.32 52.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 10.7 mttp 40.92 91.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.23 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.4 t -175.5 147.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.659 HD11 ' CE ' ' A' ' 42' ' ' MET . 4.9 mt -104.67 -9.52 18.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -132.14 80.01 65.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.794 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.02 146.43 32.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.779 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.45 93.76 3.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 19.5 m-85 -79.02 -39.24 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 73' ' ' PHE . 22.5 t0 38.73 30.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.691 ' CG ' ' CE1' ' A' ' 77' ' ' PHE . 3.9 tp10 -96.89 143.4 27.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.484 ' CB ' ' HA ' ' A' ' 27' ' ' ASN . 1.5 t -126.65 141.77 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.691 ' CE1' ' CG ' ' A' ' 75' ' ' GLU . 19.1 m-85 -122.45 124.57 43.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -86.7 166.38 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.769 ' CD2' HD11 ' A' ' 52' ' ' ILE . 51.7 m-85 -158.59 107.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -86.58 144.41 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 125.36 -41.43 1.68 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.9 mp -51.94 118.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.548 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 16.84 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.443 1.759 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.582 ' H ' HG22 ' A' ' 82' ' ' ILE . 31.9 t80 68.69 -56.17 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' PRO . 75.8 p -58.28 -15.78 11.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -91.28 -10.28 42.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' ILE . 5.0 mm -55.65 -35.66 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -74.22 -2.47 25.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.92 13.97 18.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 1.073 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 81.6 mt -109.49 -167.85 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 176.18 123.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.584 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.4 mt -89.1 128.78 35.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.743 ' HB2' HD12 ' A' ' 53' ' ' LEU . 33.8 t-80 -111.45 106.12 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.58 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD2' HD11 ' A' ' 11' ' ' LEU . 29.2 m-85 -94.74 111.77 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 48' ' ' ILE . 31.7 m -103.54 123.64 47.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.783 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.8 mp -93.4 86.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.439 HD23 HG13 ' A' ' 107' ' ' ILE . 3.2 mp -94.96 -166.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 34.8 t -153.16 124.9 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -75.05 131.22 40.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -122.51 151.22 41.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -70.84 59.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CG ' ' O ' ' A' ' 101' ' ' ARG . 16.0 m-85 -166.69 -83.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.11 -41.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -46.94 151.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.75 106.05 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.59 101.14 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.439 HG13 HD23 ' A' ' 97' ' ' LEU . 30.8 mt -67.24 105.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.72 ' HB ' HG22 ' A' ' 96' ' ' ILE . 16.4 mt -67.09 -39.37 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.406 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -173.0 164.31 36.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -121.64 131.8 54.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG11 HD12 ' A' ' 11' ' ' LEU . 2.9 t -122.16 149.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 tp -141.86 149.22 39.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.7 tp -149.81 98.23 3.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.01 6.32 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 110.978 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.581 HD11 ' HZ ' ' A' ' 24' ' ' PHE . 15.2 mt -77.51 0.3 23.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.1 t -64.32 94.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.28 -25.8 7.64 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.1 mm -68.66 139.96 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -122.82 113.77 19.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.53 HD21 ' CB ' ' A' ' 15' ' ' LEU . 28.7 mt -92.55 4.86 52.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.454 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -47.31 -61.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -41.49 -50.22 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 159.04 -138.2 5.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -88.61 125.54 34.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 14' ' ' SER . 19.4 ptp -112.98 152.16 29.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 127' ' ' MET . 0.6 OUTLIER -100.95 134.95 43.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.801 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.6 mtm -142.61 154.85 44.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.77 164.7 27.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.516 ' CG ' HD13 ' A' ' 113' ' ' ILE . 1.9 mmt180 -152.82 146.08 24.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -88.28 140.53 29.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.221 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.547 HG22 ' CD1' ' A' ' 8' ' ' LEU . 4.7 mt -97.74 119.34 45.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.3 pp -132.66 -170.97 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.4 t -97.28 72.37 2.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.607 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 73.28 153.53 2.45 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 166.34 29.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.84 128.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.961 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.4 m -111.59 -57.87 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -162.59 108.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.33 170.04 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.26 153.41 17.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -155.02 114.02 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 109.984 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.38 168.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.6 147.75 16.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.567 1.167 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 ' HB2' HG22 ' A' ' 131' ' ' ILE . 3.3 mm? -74.58 -92.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.21 -168.53 18.51 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.9 m -122.97 161.25 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 110.455 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' CD1' ' A' ' 48' ' ' ILE . 2.1 tp -124.52 147.05 48.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.755 ' N ' HD12 ' A' ' 11' ' ' LEU . 15.9 m-85 -128.41 137.03 51.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' O ' HD13 ' A' ' 126' ' ' LEU . 15.0 p90 -168.79 159.82 9.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.797 ' OG ' HD22 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -137.2 120.87 17.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.65 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.6 OUTLIER -76.61 138.29 40.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.8 tt0 -144.43 125.94 14.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 61.5 t80 -102.47 124.23 47.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.852 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 33.2 t-20 -70.34 60.71 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -42.14 -45.77 4.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.46 -44.59 25.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -114.33 23.6 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ASN . 8.5 mttt 37.89 66.31 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.852 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -135.98 168.94 18.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.629 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 4.1 t80 -111.62 126.01 54.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.588 HG12 HG23 ' A' ' 76' ' ' THR . 2.1 t -122.05 120.84 62.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 65.6 t -110.33 98.8 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 2.5 t-20 -83.39 111.18 18.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.535 HG21 HG21 ' A' ' 62' ' ' THR . 45.6 mt -94.52 101.67 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -62.58 -137.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.506 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.1 pt-20 -113.83 174.59 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -128.75 139.06 52.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -131.6 136.4 47.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.94 37.94 2.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 69' ' ' LEU . 6.5 mt -98.87 115.61 65.7 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.04 11.16 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.06 164.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.8 mmt -116.63 -40.69 3.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -111.32 177.7 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' GLN . 1.3 pt-20 -108.52 -5.72 16.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' GLU . 7.1 mt-30 -37.74 -81.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.31 35.52 4.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 45.41 64.21 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.714 HG21 ' HG2' ' A' ' 67' ' ' LYS . 10.2 t -168.0 -179.9 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.515 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.7 p -165.66 176.49 8.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -120.45 71.25 17.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 179.28 6.24 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.019 ' CE2' HD21 ' A' ' 97' ' ' LEU . 55.5 p90 -178.4 144.72 0.31 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.844 ' CD1' HD13 ' A' ' 11' ' ' LEU . 6.5 mt -92.11 139.54 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 93' ' ' HIS . 15.1 mttt -106.24 125.08 50.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.798 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.3 ttp -96.27 149.09 22.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 53' ' ' LEU . 25.0 m -159.14 129.85 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' A' ' 58' ' ' HIS . 14.9 mt -88.54 89.52 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 51' ' ' THR . 3.2 mm? -84.93 156.41 60.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.93 -24.31 11.51 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.006 -0.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.562 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.3 mt-10 -24.92 -64.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HG3' HD11 ' A' ' 53' ' ' LEU . 3.5 tttt 72.26 4.95 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 9.1 tppt? -75.37 -64.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.53 ' HB2' HD12 ' A' ' 52' ' ' ILE . 43.6 m-70 -65.54 74.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LYS . 5.4 ttmt -92.15 123.67 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.798 HG23 ' HB3' ' A' ' 50' ' ' MET . 11.0 m -140.15 148.25 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -129.39 152.87 48.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.535 HG21 HG21 ' A' ' 28' ' ' ILE . 70.0 p -93.52 133.35 36.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -35.99 150.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -103.93 96.36 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.5 mt -55.78 154.97 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 67' ' ' LYS . 10.8 mmt85 -98.72 142.68 29.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.714 ' HG2' HG21 ' A' ' 43' ' ' THR . 5.6 mttt 38.14 85.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 68' ' ' THR . 4.8 t -176.56 103.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 mm? -64.5 -30.59 71.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 p-10 -117.2 81.06 12.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.0 143.25 28.84 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.42 1.747 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.506 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.69 94.78 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.2 m-85 -81.67 -41.4 21.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 73' ' ' PHE . 3.4 t0 39.48 44.34 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -83.26 177.3 8.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.588 HG23 HG12 ' A' ' 25' ' ' VAL . 13.8 m -154.72 121.88 5.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 45.6 m-85 -117.59 125.56 51.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.528 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.1 m -101.74 156.67 17.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 78' ' ' THR . 11.3 m-85 -154.5 133.29 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -111.32 147.17 35.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 123.1 -16.63 8.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.775 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.0 mp -77.71 116.39 57.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.536 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.96 21.66 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.534 1.807 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.536 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 16.3 t80 66.73 -59.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 83' ' ' PRO . 82.0 p -54.86 -18.81 5.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.09 . . . . 0.0 110.395 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -87.51 -11.56 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.775 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.6 mm -58.05 -41.05 79.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -67.91 -7.31 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -107.07 13.04 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 80.0 mt -110.14 -170.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 178.35 123.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.529 ' CD1' HD11 ' A' ' 15' ' ' LEU . 13.0 mt -90.0 133.56 34.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.424 ' HB2' HD23 ' A' ' 53' ' ' LEU . 37.6 t-80 -114.12 109.06 17.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD2' HD21 ' A' ' 11' ' ' LEU . 31.9 m-85 -99.11 110.62 23.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.723 HG23 ' HG2' ' A' ' 110' ' ' GLU . 56.4 m -107.29 101.08 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.859 HD13 HG12 ' A' ' 131' ' ' ILE . 4.4 mp -79.18 83.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.019 HD21 ' CE2' ' A' ' 47' ' ' TYR . 2.2 pt? -111.56 171.88 7.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER -113.53 156.66 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -76.25 122.85 24.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.71 143.06 33.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.87 2.8 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -140.43 -58.72 0.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -179.15 -44.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -54.36 93.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.7 OUTLIER -68.61 113.14 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.51 87.64 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' A' ' 97' ' ' LEU . 20.5 mt -83.28 110.78 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.463 HG23 HD12 ' A' ' 8' ' ' LEU . 29.2 mt -60.0 -47.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.519 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -172.6 173.98 45.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.465 1.103 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.723 ' HG2' HG23 ' A' ' 95' ' ' THR . 52.4 mt-10 -124.03 156.98 35.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.5 t -142.64 154.92 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.6 tp -145.19 145.93 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.621 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -144.78 98.77 4.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.8 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.3 -0.81 20.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.5 t -69.6 99.31 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 115.72 -27.44 8.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.414 HG23 ' CE ' ' A' ' 125' ' ' MET . 2.8 mm -55.57 147.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.43 ' O ' ' HE1' ' A' ' 125' ' ' MET . 21.9 mt-10 -120.76 97.21 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 15' ' ' LEU . 11.7 mt -92.0 -14.34 29.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 122' ' ' GLU . 55.3 p -39.34 -64.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 121' ' ' SER . 1.5 mt-10 -37.73 -42.28 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.08 -138.43 6.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -93.11 138.22 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.43 ' HE1' ' O ' ' A' ' 119' ' ' GLU . 15.3 ptp -130.08 136.6 49.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.797 HD22 ' OG ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -84.95 140.33 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.478 ' CE ' HG12 ' A' ' 113' ' ' ILE . 1.4 mtm -141.72 156.47 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -133.35 157.5 45.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.51 ' NE ' ' CD1' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -139.71 146.32 39.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -97.45 141.49 30.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.859 HG12 HD13 ' A' ' 96' ' ' ILE . 2.6 mp -101.58 116.95 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.76 -172.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.8 t -86.85 72.16 10.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.059 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.99 152.59 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.442 1.759 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.6 p -147.93 92.24 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 11.0 p -136.82 159.35 42.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.96 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t 62.79 128.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.43 130.03 2.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.92 168.3 12.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -103.61 113.45 26.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -173.33 152.01 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.55 121.21 6.73 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.637 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.2 mm? -47.36 -73.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -172.47 -164.37 27.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 11' ' ' LEU . 94.5 m -118.84 170.01 9.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 0.775 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.968 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -141.13 125.65 17.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.968 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.3 m-85 -107.76 139.53 42.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' HE2' HD21 ' A' ' 15' ' ' LEU . 9.5 p90 -165.18 170.59 14.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.698 ' HB3' HD22 ' A' ' 126' ' ' LEU . 4.3 p -147.55 121.1 9.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.592 ' HB2' HD21 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -79.78 152.24 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' VAL . 11.8 tt0 -162.3 137.41 7.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 5.6 t30 -79.97 86.29 5.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.81 -42.74 99.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.24 -47.42 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' LYS . 11.2 mtp85 -115.9 24.93 11.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER 36.42 67.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.772 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -131.66 172.31 12.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.682 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 7.1 t80 -110.48 150.34 29.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.574 HG12 HG23 ' A' ' 76' ' ' THR . 2.7 t -143.45 126.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.682 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 77.9 t -121.45 90.22 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 18.1 t-20 -76.13 120.21 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.628 HD11 ' HG3' ' A' ' 50' ' ' MET . 3.5 mt -102.05 102.58 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -138.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.1 pt-20 -114.63 170.28 8.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.48 129.86 54.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.6 132.49 54.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 98.62 44.04 2.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD23 ' CG ' ' A' ' 46' ' ' PRO . 4.9 mp -99.0 121.5 55.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.27 16.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.12 147.78 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.4 mmm -101.14 -26.67 13.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -179.55 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.78 -45.07 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -39.97 -43.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -136.55 138.64 41.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.96 66.81 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 t -173.37 153.96 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.424 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.529 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.6 p -149.61 176.05 11.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.0 p-10 -119.62 71.51 14.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 163.46 35.31 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.15 ' CE1' HD21 ' A' ' 97' ' ' LEU . 43.8 p90 -157.77 139.22 13.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.78 138.66 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -106.32 124.69 49.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.628 ' HG3' HD11 ' A' ' 28' ' ' ILE . 3.7 tmm? -95.81 145.78 25.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 HD22 ' A' ' 53' ' ' LEU . 87.2 m -155.81 138.99 15.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.591 HG23 ' HG ' ' A' ' 90' ' ' LEU . 4.9 mt -94.27 89.23 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.526 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.7 mm? -83.8 156.5 64.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.92 -25.21 10.44 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.023 -0.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.577 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -23.05 -71.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER 81.47 15.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -80.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.429 ' HD2' HD12 ' A' ' 52' ' ' ILE . 10.0 m-70 -52.73 99.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -112.92 116.25 29.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.444 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.1 m -132.66 155.68 41.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 144.95 36.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 p -90.38 177.6 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.606 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 96.3 mtt180 -64.37 141.76 58.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.734 HG12 ' CB ' ' A' ' 47' ' ' TYR . 2.5 m -88.14 -20.22 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 2.3 mt 59.16 151.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.9 mmt180 -102.46 134.58 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 66' ' ' ARG . 3.6 mttt 42.94 92.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 68' ' ' THR . 6.8 t -173.27 114.12 0.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -78.07 -20.74 51.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.5 78.94 73.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.03 143.44 28.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -126.52 96.35 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.606 ' CE1' ' O ' ' A' ' 63' ' ' ARG . 1.8 m-85 -82.06 -44.23 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.9 t0 40.69 46.37 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 5.9 mm-40 -89.33 -176.48 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.574 HG23 HG12 ' A' ' 25' ' ' VAL . 2.7 m -158.15 126.61 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 61.7 m-85 -115.25 124.3 51.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -98.86 146.23 26.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 77' ' ' PHE . 20.3 m-85 -144.13 137.55 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.772 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 88.6 m-85 -119.48 139.58 51.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 127.35 -19.43 5.99 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.657 HD13 ' HB2' ' A' ' 24' ' ' PHE . 2.7 mp -70.92 122.14 86.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.97 14.94 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.607 ' H ' HG22 ' A' ' 82' ' ' ILE . 19.3 t80 67.04 -57.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' PRO . 68.1 p -53.87 -18.54 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 110.436 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -83.49 -17.15 42.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.596 HG23 HD12 ' A' ' 115' ' ' LEU . 16.9 mm -53.46 -51.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -53.89 -19.13 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -97.63 -21.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.591 ' HG ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -70.36 -171.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 177.04 120.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.597 ' CD2' HD21 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -81.51 127.78 33.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.512 ' HB2' HD23 ' A' ' 53' ' ' LEU . 24.5 t-80 -111.44 105.29 13.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' VAL . 35.2 m-85 -98.27 111.84 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -101.31 106.7 17.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.3 mp -80.82 81.23 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.15 HD21 ' CE1' ' A' ' 47' ' ' TYR . 1.7 pt? -115.96 170.02 8.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 1.4 p -115.0 148.74 38.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 100' ' ' ASP . 42.5 t80 -96.7 162.96 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 99' ' ' PHE . 7.0 m-20 158.35 63.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.59 -77.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 105' ' ' ASP . 37.5 m-85 -141.69 -60.8 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 38.94 31.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' PHE . 23.5 mtt180 53.11 46.4 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 44.36 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -82.92 76.02 9.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.511 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.1 mt -81.41 142.76 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 8' ' ' LEU . 12.1 mt -98.2 -39.19 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -177.51 168.51 40.17 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -120.07 154.46 34.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -138.88 148.07 24.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 tp -140.7 148.17 40.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.3 tp -148.4 96.64 3.88 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 120.93 6.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 111.038 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.597 HD21 ' CD2' ' A' ' 92' ' ' LEU . 21.4 mt -71.92 -4.8 30.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.8 t -58.47 105.52 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.05 -33.4 6.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.482 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.7 mm -61.95 137.45 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 7.6 pt-20 -116.46 113.23 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.614 HD23 ' HE3' ' A' ' 125' ' ' MET . 66.7 mt -93.11 -14.8 26.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.61 -53.87 2.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.59 -50.4 7.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 160.07 -142.19 8.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -91.9 119.46 31.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.614 ' HE3' HD23 ' A' ' 120' ' ' LEU . 15.0 ptp -111.63 139.47 47.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -91.89 140.02 30.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.767 ' N ' HD13 ' A' ' 126' ' ' LEU . 8.3 mtm -144.77 151.4 38.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -131.19 144.63 51.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.407 ' CG ' HD13 ' A' ' 113' ' ' ILE . 4.6 mmt180 -130.5 146.98 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -92.99 138.57 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.637 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.3 mt -95.48 118.09 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.2 pp -130.23 -172.72 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.0 t -87.45 71.91 9.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.416 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 63.17 156.1 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 82.85 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.787 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.9 p -139.9 119.48 13.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.2 m 64.22 118.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.67 137.77 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.08 135.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.59 -156.86 9.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -59.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 m -124.37 88.46 2.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.45 125.42 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.668 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.1 mm? -52.38 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -174.42 -166.02 31.79 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -113.9 164.11 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.996 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -137.06 125.19 22.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.996 ' N ' HD22 ' A' ' 11' ' ' LEU . 7.4 m-85 -105.87 139.16 40.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' O ' HD13 ' A' ' 126' ' ' LEU . 9.1 p90 -166.45 162.84 17.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.599 ' HB3' HD22 ' A' ' 126' ' ' LEU . 15.3 p -136.53 151.21 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.812 HD21 ' CD1' ' A' ' 92' ' ' LEU . 6.0 mt -112.82 152.89 28.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.99 125.15 2.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 11.7 t80 -99.16 144.34 28.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.777 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 63.9 t-20 -96.81 60.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 16.1 m-85 -35.8 -48.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -43.62 -53.46 5.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.4 mtp85 -110.31 24.27 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' ASN . 5.3 mttt 36.23 67.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.777 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.96 165.79 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.787 ' HE2' HD21 ' A' ' 92' ' ' LEU . 6.9 t80 -115.18 132.1 56.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 76' ' ' THR . 4.0 t -119.28 106.8 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 89.3 t -101.52 93.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.7 t-20 -81.67 130.13 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.72 HG21 HG21 ' A' ' 62' ' ' THR . 49.9 mt -109.92 98.74 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.61 -139.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.8 pt-20 -113.57 169.69 8.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.339 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.88 141.14 52.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -130.82 141.61 50.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.627 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 91.29 45.45 4.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.665 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.7 mt -97.87 122.18 55.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.88 15.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.574 1.829 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.03 152.09 24.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.404 ' HG3' ' CB ' ' A' ' 98' ' ' SER . 9.7 mmt -113.3 -16.16 12.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -123.05 164.49 18.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 40' ' ' GLN . 3.1 pt-20 -102.78 -5.39 23.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -36.88 -82.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -132.14 49.92 2.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.001 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.1 tpt 39.92 50.51 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.886 HG21 ' HG2' ' A' ' 67' ' ' LYS . 9.9 t -150.85 171.66 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.449 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.3 p -164.98 175.36 9.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 56.2 m-20 -122.33 73.01 38.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.4 Cg_endo -74.99 162.81 36.55 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.735 ' CB ' HG12 ' A' ' 64' ' ' VAL . 33.4 p90 -159.01 142.79 15.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 95' ' ' THR . 23.7 mt -93.11 157.68 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 47' ' ' TYR . 2.7 mtpm? -128.93 127.36 41.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.586 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.3 tmm? -99.81 149.72 23.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.414 ' N ' ' SD ' ' A' ' 50' ' ' MET . 99.9 m -155.21 134.78 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.361 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.483 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.2 mt -91.62 94.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.4 mm? -87.12 156.95 54.44 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -25.35 10.34 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.979 0.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.591 ' C ' ' O ' ' A' ' 54' ' ' PRO . 25.1 mt-10 -21.97 -66.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 71.77 6.41 5.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.8 OUTLIER -74.16 -63.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 11.7 m-70 -68.36 97.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.654 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -109.32 122.42 47.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.586 HG23 ' HB3' ' A' ' 50' ' ' MET . 16.0 m -135.17 148.81 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.07 152.94 48.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.72 HG21 HG21 ' A' ' 28' ' ' ILE . 38.2 p -90.65 138.59 31.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.2 126.15 17.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.735 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -72.32 134.58 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.864 HD23 ' CB ' ' A' ' 71' ' ' PRO . 3.9 mm? -81.23 165.59 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -109.67 126.84 54.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.886 ' HG2' HG21 ' A' ' 43' ' ' THR . 15.7 mttt 45.54 85.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.5 t -176.15 135.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -93.0 -5.45 50.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.74 88.35 16.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.864 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 141.13 26.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.499 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.97 88.92 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 8.4 m-85 -79.3 -42.4 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.5 t70 38.39 43.53 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 6.2 mm-40 -89.89 177.71 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.546 HG23 HG12 ' A' ' 25' ' ' VAL . 10.8 m -154.75 132.24 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 95.5 m-85 -122.46 119.85 32.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -97.32 138.39 34.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.483 ' CD2' HD11 ' A' ' 52' ' ' ILE . 23.3 m-85 -133.92 116.11 15.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -91.29 168.39 11.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.09 -46.61 3.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.436 ' CG2' HD21 ' A' ' 90' ' ' LEU . 6.5 mt -52.0 113.98 4.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.4 Cg_endo -74.94 138.35 23.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.489 ' HA ' ' CG1' ' A' ' 87' ' ' ILE . 30.2 t80 -45.13 -48.08 12.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 69.5 p -54.8 -25.45 28.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.544 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -79.79 -14.47 58.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 6.9 mm -63.88 -56.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -54.06 -18.63 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.61 -26.29 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -65.63 -169.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 178.17 135.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.812 ' CD1' HD21 ' A' ' 15' ' ' LEU . 15.9 mt -99.21 140.26 33.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -123.64 105.52 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.43 ' O ' ' N ' ' A' ' 111' ' ' VAL . 26.0 m-85 -94.59 118.84 32.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 97' ' ' LEU . 21.7 m -115.79 117.42 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.781 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.8 mp -86.22 100.16 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.639 ' CD2' HG22 ' A' ' 95' ' ' THR . 0.6 OUTLIER -92.41 -171.11 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.641 ' OG ' HD11 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -150.1 95.97 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.6 ' CD2' HG21 ' A' ' 64' ' ' VAL . 84.2 t80 -88.42 160.69 17.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.28 178.62 10.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -73.88 -17.15 61.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.261 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -88.0 17.56 4.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.67 92.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.52 168.61 19.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.255 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.94 106.79 3.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.99 109.52 9.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.58 HG23 HG22 ' A' ' 95' ' ' THR . 56.3 mt -64.74 96.91 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.641 HD11 ' OG ' ' A' ' 98' ' ' SER . 97.1 mt -55.93 -37.6 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.63 177.91 40.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -131.96 145.92 51.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -144.54 143.47 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.3 tp -140.82 147.39 38.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -145.47 99.63 4.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.71 5.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 48.9 mt -66.3 -9.1 29.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.9 t -60.27 104.22 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.82 -41.05 2.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -58.59 149.59 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.511 ' O ' ' CE ' ' A' ' 125' ' ' MET . 10.0 mm-40 -125.64 128.24 47.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 15' ' ' LEU . 84.2 mt -112.37 5.39 18.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -56.14 -48.46 76.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.22 -56.4 18.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.92 -142.81 7.84 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 10.2 tttt -85.33 133.9 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.511 ' CE ' ' O ' ' A' ' 119' ' ' GLU . 17.2 ptp -124.68 142.67 51.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.0 OUTLIER -92.5 137.44 32.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.7 mtm -142.53 149.98 39.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -134.75 143.77 47.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.515 ' HG3' HD13 ' A' ' 113' ' ' ILE . 23.2 mmt-85 -132.12 146.72 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 110.336 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -89.53 140.63 29.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.668 HG22 ' HB2' ' A' ' 8' ' ' LEU . 3.3 mt -96.59 123.07 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.706 HD11 ' C ' ' A' ' 135' ' ' PRO . 2.1 pp -136.78 -172.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 43.5 t -86.16 64.66 8.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 138.42 -141.66 12.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.706 ' C ' HD11 ' A' ' 132' ' ' ILE . 18.3 Cg_endo -74.96 -63.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.2 p -141.54 -61.66 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m 60.23 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' C ' ' HG ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' HG ' ' C ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER 179.84 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.031 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 44.32 78.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.84 -158.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.69 -60.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.6 m -113.85 142.02 46.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -36.99 136.34 0.64 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.8 mm? -65.05 -89.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' O ' HD12 ' A' ' 131' ' ' ILE . . . -164.14 -173.27 32.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 54.1 m -115.9 160.59 19.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 12' ' ' PHE . 5.8 tp -122.95 136.43 54.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.674 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.2 m-85 -120.02 137.38 54.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -169.17 168.51 9.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.561 ' HB3' HD22 ' A' ' 126' ' ' LEU . 83.5 p -132.98 161.32 34.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mt -126.63 136.04 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -154.83 126.55 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 68.3 t80 -101.14 127.01 47.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.72 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 45.7 t-20 -71.18 94.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 1.6 m-85 -68.69 -36.03 77.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -49.24 76.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 5.4 mtp180 -109.87 21.64 16.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 37.01 69.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.1 178.41 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.0 t80 -121.66 135.36 54.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG12 HG23 ' A' ' 76' ' ' THR . 5.5 t -123.55 111.48 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.683 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 48.9 t -107.51 93.64 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.08 128.1 33.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.593 HG21 HG21 ' A' ' 62' ' ' THR . 27.3 mt -109.62 101.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.16 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.75 -135.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -113.05 177.53 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.35 127.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -118.28 130.18 55.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.837 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 107.1 48.16 0.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.837 HD23 ' C ' ' A' ' 33' ' ' GLY . 1.6 mt -107.77 113.72 61.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 129.95 12.85 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.42 158.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.42 ' CE ' HG12 ' A' ' 108' ' ' ILE . 12.7 mmt -113.9 -38.15 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.04 -177.7 6.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -121.87 -59.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -40.6 -42.75 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.5 OUTLIER -124.29 112.49 17.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.034 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.423 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -62.9 75.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.597 ' HA ' HD21 ' A' ' 69' ' ' LEU . 7.5 t -176.31 177.94 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.559 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 7.9 p -164.73 177.85 7.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.12 68.42 17.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.1 Cg_endo -75.03 153.7 41.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 24.7 p90 -157.54 139.18 13.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.567 ' CD1' HD13 ' A' ' 11' ' ' LEU . 61.7 mt -90.33 143.58 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.476 ' HD2' HD13 ' A' ' 97' ' ' LEU . 14.4 mttt -110.68 128.09 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.67 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.6 ttp -96.09 146.38 24.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.63 HG22 ' HA ' ' A' ' 56' ' ' LYS . 91.2 m -156.1 124.1 5.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 58' ' ' HIS . 21.1 mt -82.19 90.05 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.71 156.86 67.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.558 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.0 Cg_endo -75.03 -23.75 12.26 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.995 0.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.558 ' C ' ' O ' ' A' ' 54' ' ' PRO . 16.4 mt-10 -25.81 -61.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.63 ' HA ' HG22 ' A' ' 51' ' ' THR . 0.4 OUTLIER 67.87 8.99 6.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -79.17 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' HB2' HD12 ' A' ' 52' ' ' ILE . 17.2 m-70 -61.79 79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.649 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.601 ' HG3' HG23 ' A' ' 51' ' ' THR . 3.6 mttt -94.71 126.13 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.8 m -146.17 140.92 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -124.1 154.34 40.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.593 HG21 HG21 ' A' ' 28' ' ' ILE . 7.5 p -87.14 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.357 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -42.98 110.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.3 p -68.76 100.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.54 156.71 22.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -105.4 137.2 43.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' HB ' ' A' ' 68' ' ' THR . 3.6 mtpt 45.78 86.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 13.8 t -177.79 105.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 43' ' ' THR . 2.5 mm? -66.53 -26.46 67.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -120.98 77.66 31.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -75.01 137.72 22.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.804 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.68 93.81 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.4 m-85 -81.56 -43.02 19.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 42.57 45.43 3.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -88.63 174.51 8.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.44 HG23 HG12 ' A' ' 25' ' ' VAL . 4.3 m -158.68 130.58 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -119.93 129.77 54.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 m -105.39 141.06 37.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -138.33 128.41 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -99.24 155.77 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.06 -62.34 0.35 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.578 HG21 HD11 ' A' ' 90' ' ' LEU . 4.3 mt -41.98 113.72 1.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.35 21.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 37.8 t80 -51.84 -19.0 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 p -80.59 -19.66 45.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.399 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.403 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 3.0 tt0 -90.42 -14.44 32.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.3 mm -52.83 -41.44 39.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.03 -7.07 19.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -113.12 16.17 19.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.578 HD11 HG21 ' A' ' 82' ' ' ILE . 71.9 mt -112.78 -176.93 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 179.22 124.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.722 HD21 HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -88.09 130.69 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.526 ' HB2' HD23 ' A' ' 53' ' ' LEU . 26.9 t-80 -111.49 104.47 12.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -96.48 108.83 21.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 97' ' ' LEU . 65.3 m -101.75 121.84 42.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.775 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.3 mp -85.87 89.18 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 95' ' ' THR . 4.3 mp -95.33 -166.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 32.2 t -156.63 138.8 14.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -115.61 136.61 52.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 101' ' ' ARG . 5.8 m-20 -160.79 78.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 100' ' ' ASP . 0.0 OUTLIER 57.06 160.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 104' ' ' ARG . 34.7 m-85 37.48 45.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 m 64.36 -79.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 58.65 100.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.58 104.34 16.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.42 86.13 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.5 mt -66.26 107.62 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.59 ' HB ' HG22 ' A' ' 96' ' ' ILE . 7.7 mt -74.96 -37.49 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.447 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -169.16 -179.67 41.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.63 138.4 47.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.572 HG11 HD23 ' A' ' 11' ' ' LEU . 10.8 t -131.96 150.74 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 tp -148.64 143.5 26.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.7 tp -140.39 98.13 7.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.722 HD11 HD21 ' A' ' 92' ' ' LEU . 27.5 mt -87.5 15.15 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.55 54.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.5 -27.2 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.59 HD12 ' SD ' ' A' ' 125' ' ' MET . 6.7 mm -54.51 164.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.573 ' C ' HD13 ' A' ' 120' ' ' LEU . 10.2 mt-10 -147.56 102.71 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -104.38 41.93 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.58 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 99.8 p -64.94 69.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 120' ' ' LEU . 6.9 mt-10 65.53 9.14 5.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -117.49 115.96 3.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -83.27 120.37 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.59 ' SD ' HD12 ' A' ' 118' ' ' ILE . 18.5 ptp -112.84 143.04 44.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -92.03 140.29 29.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.714 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.1 mtm -141.83 155.87 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -135.73 166.24 23.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 -148.45 146.75 28.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -94.48 138.93 31.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.447 HG23 ' HA3' ' A' ' 109' ' ' GLY . 4.2 mt -100.6 118.75 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -128.0 -172.12 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.2 t -87.5 75.67 9.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.432 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 61.08 157.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.8 29.5 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.98 88.6 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.29 124.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.568 1.167 . . . . 0.0 111.026 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m 60.22 93.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.784 . . . . 0.0 110.02 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.26 165.73 18.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.22 137.56 6.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 p -136.19 170.96 15.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.81 -61.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.63 132.16 1.86 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.796 HD22 HG23 ' A' ' 108' ' ' ILE . 46.4 mt -95.2 -98.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' CA ' ' HA3' ' A' ' 33' ' ' GLY . . . -159.98 -168.11 21.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.3 m -124.18 162.95 22.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 0.773 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 12' ' ' PHE . 4.7 tp -124.65 139.36 53.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.716 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.7 m-85 -123.17 141.89 51.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' O ' HD13 ' A' ' 126' ' ' LEU . 8.3 p90 -171.2 156.7 4.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' 125' ' ' MET . 0.2 OUTLIER -129.87 130.08 44.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.912 HD21 HD11 ' A' ' 92' ' ' LEU . 4.0 mt -90.94 144.79 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -152.97 139.38 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 50.7 t80 -117.96 126.72 52.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.576 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 13.1 t-20 -73.87 58.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' ASN . 28.1 m-85 -35.81 -47.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -47.81 -48.16 30.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' ASN . 13.1 mtp180 -110.86 21.46 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.2 OUTLIER 36.25 71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.967 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -137.07 155.38 49.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.696 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 2.9 t80 -99.35 128.07 45.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.492 ' CG1' HG23 ' A' ' 76' ' ' THR . 15.1 t -124.46 112.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.696 ' CG2' ' CZ ' ' A' ' 24' ' ' PHE . 59.9 t -109.02 94.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -79.31 131.35 36.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' LYS . 66.1 mt -107.43 101.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.79 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 12.2 pt-20 -114.1 172.35 7.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -125.54 137.48 53.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.92 133.8 46.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.678 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 105.21 41.75 1.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 33' ' ' GLY . 2.3 mt -101.06 114.53 65.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 127.41 10.72 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.38 144.57 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.5 mmt -102.5 -47.54 4.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.21 163.48 13.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.81 64.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -113.46 -67.26 1.01 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.456 ' OG ' HG22 ' A' ' 43' ' ' THR . 53.1 p -121.39 15.22 11.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 65.93 53.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.682 ' HA ' HD21 ' A' ' 69' ' ' LEU . 3.3 t -163.57 179.55 7.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.47 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 15.1 m -163.99 175.34 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.971 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -120.73 73.49 23.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.97 166.53 29.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.944 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 15.1 p90 -162.82 139.62 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.621 ' CD1' HD13 ' A' ' 11' ' ' LEU . 9.7 mt -91.78 135.48 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 93' ' ' HIS . 14.1 mttt -106.44 124.95 50.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.496 ' HB3' HG23 ' A' ' 60' ' ' VAL . 4.1 tmm? -96.24 150.08 20.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.619 HG21 ' HG3' ' A' ' 56' ' ' LYS . 86.5 m -156.28 129.23 7.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.552 HD11 ' CD2' ' A' ' 79' ' ' PHE . 3.4 mt -86.44 90.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.5 mm? -82.77 157.11 67.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.04 -22.56 13.8 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.96 0.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.536 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -28.0 -67.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.619 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER 75.14 3.91 4.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 10.4 mmtt -70.25 -85.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 79' ' ' PHE . 2.7 m-70 -50.99 93.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' LYS . 3.8 mtpt -105.93 126.19 51.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 50' ' ' MET . 9.4 m -131.7 147.84 32.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.75 155.17 46.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.6 p -88.37 160.51 17.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -58.07 127.2 30.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 64' ' ' VAL . 10.9 t -76.99 92.1 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 45' ' ' ASP . 1.6 mt -62.58 163.13 9.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -116.14 133.13 56.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 0.3 OUTLIER 48.27 84.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 68' ' ' THR . 5.8 t -176.64 104.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 43' ' ' THR . 2.2 mm? -67.09 -29.78 69.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -117.04 80.77 11.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.485 ' CB ' HD13 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.99 141.23 26.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.507 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -121.42 93.69 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' ASP . 2.4 m-85 -81.18 -44.58 17.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER 37.78 44.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.32 178.9 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.492 HG23 ' CG1' ' A' ' 25' ' ' VAL . 18.5 m -143.34 149.81 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -140.85 139.58 34.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.596 HG22 ' CD2' ' A' ' 80' ' ' TYR . 8.8 m -124.6 127.78 47.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.552 ' CD2' HD11 ' A' ' 52' ' ' ILE . 73.0 m-85 -112.05 -12.45 13.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.967 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 22.6 m-85 44.43 -171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 82' ' ' ILE . . . 71.67 -55.85 1.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.909 HD12 ' O ' ' A' ' 80' ' ' TYR . 3.5 mp -33.08 113.39 0.39 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.565 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.03 18.81 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.596 ' H ' HG22 ' A' ' 82' ' ' ILE . 32.1 t80 68.31 -57.04 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' PRO . 74.5 p -55.82 -17.35 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -91.06 -4.01 56.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.738 ' CD1' HG21 ' A' ' 82' ' ' ILE . 5.3 mm -63.38 -52.63 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -48.7 -37.76 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -73.48 -30.95 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -64.43 -170.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 175.29 120.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.912 HD11 HD21 ' A' ' 15' ' ' LEU . 10.8 mt -84.42 145.85 27.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' HB2' HD23 ' A' ' 53' ' ' LEU . 34.5 t-80 -128.08 104.44 7.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.711 ' CD2' HD21 ' A' ' 11' ' ' LEU . 24.0 m-85 -94.78 119.53 33.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.7 m -115.71 100.16 7.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.829 HD13 HG12 ' A' ' 131' ' ' ILE . 4.5 mp -78.38 83.14 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.944 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.7 pt? -115.44 170.58 8.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.1 t -116.22 135.86 53.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 100' ' ' ASP . 19.8 t80 -76.37 144.96 39.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.591 ' O ' ' CE1' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -123.68 176.38 6.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.48 36.81 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -133.83 -64.28 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.69 -51.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 165.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -127.07 116.74 21.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -88.6 82.81 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.523 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 23.9 mt -79.62 137.16 22.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.796 HG23 HD22 ' A' ' 8' ' ' LEU . 8.1 mt -91.1 -40.62 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.82 169.62 42.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -121.98 144.96 48.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.548 HG11 HD23 ' A' ' 11' ' ' LEU . 6.6 t -134.37 153.29 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.439 HD12 ' O ' ' A' ' 92' ' ' LEU . 4.6 tp -149.39 139.21 21.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.616 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.5 OUTLIER -136.98 99.57 10.03 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.71 6.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 87' ' ' ILE . 15.7 mt -74.25 -1.8 22.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.5 t -62.17 95.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 117.89 -32.09 5.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -52.77 131.76 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 8.1 pt-20 -119.49 114.03 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 123' ' ' GLY . 1.6 mt -100.64 2.07 41.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 p -40.34 -34.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -71.22 -47.43 57.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 156.17 -137.73 5.65 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -88.74 125.79 35.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.413 ' C ' ' HG ' ' A' ' 14' ' ' SER . 14.9 ptp -118.3 138.55 52.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 126' ' ' LEU . 0.0 OUTLIER -84.2 139.25 32.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.2 mtm -141.75 154.82 45.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.52 161.56 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.413 ' CG ' ' CD1' ' A' ' 113' ' ' ILE . 0.0 OUTLIER -148.47 146.63 28.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.04 146.55 24.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.829 HG12 HD13 ' A' ' 96' ' ' ILE . 5.3 mt -104.33 123.86 58.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.529 ' HA ' HD12 ' A' ' 8' ' ' LEU . 2.0 pp -137.1 -171.35 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.4 t -92.62 78.2 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 61.13 153.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 81.36 2.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.35 163.33 21.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.6 t -120.08 84.16 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.955 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -166.5 129.33 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 0.793 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t 60.66 149.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.62 93.31 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.63 139.92 39.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 m -75.19 142.07 43.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.38 144.35 1.55 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD13 ' HA3' ' A' ' 109' ' ' GLY . 6.9 mt -100.9 -39.02 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 0.737 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.47 167.44 11.47 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.525 HG22 ' CE1' ' A' ' 12' ' ' PHE . 6.3 m -113.5 143.28 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.747 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 94' ' ' PHE . 8.9 tp -105.85 140.69 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.668 ' H ' HD12 ' A' ' 11' ' ' LEU . 20.2 m-85 -120.52 137.99 54.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' O ' HD13 ' A' ' 126' ' ' LEU . 7.0 p90 -167.5 168.67 12.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.944 ' HB3' HD22 ' A' ' 126' ' ' LEU . 54.7 p -143.89 118.99 10.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -77.44 147.86 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -159.09 121.83 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 65.9 t80 -100.94 121.19 41.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.488 ' CB ' ' HB3' ' A' ' 23' ' ' ALA . 2.1 t30 -68.66 86.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.74 -49.21 75.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CG ' ' ND2' ' A' ' 18' ' ' ASN . 1.0 OUTLIER -42.56 -60.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' LYS . 4.8 mtp85 -99.71 22.58 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.6 mttt 35.83 67.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB3' ' CB ' ' A' ' 18' ' ' ASN . . . -128.8 171.5 12.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.671 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 3.3 t80 -118.5 118.91 33.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG12 HG23 ' A' ' 76' ' ' THR . 3.1 t -110.16 129.72 64.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.716 HG21 HD21 ' A' ' 92' ' ' LEU . 94.5 t -119.91 91.5 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 7.1 t-20 -77.91 122.35 25.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.585 HD11 ' HG3' ' A' ' 50' ' ' MET . 6.8 mt -104.22 101.78 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.67 -139.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.508 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 7.7 pt-20 -113.67 177.37 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.07 133.55 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 137.19 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.579 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 84.59 70.61 1.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.579 HD23 ' C ' ' A' ' 33' ' ' GLY . 10.1 mt -113.07 126.68 27.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 126.09 9.73 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.66 141.47 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.8 mmt -81.49 -31.95 32.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.46 164.94 15.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.82 -56.62 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -39.95 -55.85 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 m -78.92 -42.28 27.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.5 tpt 67.21 46.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.647 HG21 ' HB3' ' A' ' 67' ' ' LYS . 12.8 t -169.08 169.78 9.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.417 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.544 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.9 p -165.68 177.31 7.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -116.72 73.64 6.13 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 136.85 20.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CB ' HG12 ' A' ' 64' ' ' VAL . 43.1 p90 -135.8 140.33 44.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.727 ' CD1' HD13 ' A' ' 11' ' ' LEU . 9.8 mt -91.85 131.23 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -103.47 119.66 39.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.585 ' HG3' HD11 ' A' ' 28' ' ' ILE . 4.4 tmm? -96.71 149.07 22.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.606 HG21 ' HG3' ' A' ' 56' ' ' LYS . 82.6 m -156.28 128.77 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.419 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 79' ' ' PHE . 2.6 mt -80.72 91.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.735 HD12 ' HB2' ' A' ' 93' ' ' HIS . 28.6 mt -87.34 158.43 52.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -19.83 17.17 Favored 'Cis proline' 0 C--N 1.359 1.121 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.987 -0.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.54 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -27.45 -66.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.606 ' HG3' HG21 ' A' ' 51' ' ' THR . 28.0 tttt 77.78 0.89 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -68.22 -85.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -51.05 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.601 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HG2' HG23 ' A' ' 51' ' ' THR . 9.6 mtpm? -104.33 118.12 35.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 50' ' ' MET . 16.2 m -130.55 148.27 33.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -128.51 149.97 50.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.404 HG21 HG21 ' A' ' 28' ' ' ILE . 33.2 p -89.09 133.12 34.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.18 124.97 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.704 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -75.75 129.71 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 71' ' ' PRO . 3.9 mm? -71.79 174.21 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt85 -115.42 100.83 8.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.647 ' HB3' HG21 ' A' ' 43' ' ' THR . 24.9 mttt 57.43 98.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 1.4 t 175.84 114.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.74 -1.66 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -140.36 71.74 32.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.757 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.96 -178.3 4.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -161.23 98.42 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.84 -45.54 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.33 43.28 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.5 mt-10 -85.73 176.49 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.404 HG23 HG12 ' A' ' 25' ' ' VAL . 10.9 m -153.25 124.54 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -115.46 138.19 51.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 2.1 m -111.6 153.81 25.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 52' ' ' ILE . 45.4 m-85 -151.89 102.58 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -80.09 153.6 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.53 -60.09 0.54 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.515 HG21 HD11 ' A' ' 90' ' ' LEU . 4.1 mt -43.1 112.04 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.85 21.01 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 27.8 t80 -51.61 -19.57 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.4 p -79.21 -19.07 51.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -91.14 -15.57 29.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.8 mm -52.17 -41.65 33.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -66.06 -9.55 31.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -110.19 10.66 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.515 HD11 HG21 ' A' ' 82' ' ' ILE . 61.9 mt -108.92 -173.21 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . 178.09 126.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.716 HD21 HG21 ' A' ' 26' ' ' VAL . 10.4 mt -87.17 121.79 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.735 ' HB2' HD12 ' A' ' 53' ' ' LEU . 10.1 t-80 -98.22 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.075 . . . . 0.0 109.6 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 1.057 ' CB ' HG13 ' A' ' 111' ' ' VAL . 12.1 m-85 -91.04 132.12 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.679 HG23 ' CG ' ' A' ' 110' ' ' GLU . 9.4 m -135.18 116.09 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.3 mp -92.82 95.97 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 95' ' ' THR . 2.7 mp -99.31 -164.66 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.53 110.64 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -89.94 144.82 25.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.522 ' O ' ' C ' ' A' ' 101' ' ' ARG . 6.0 m-20 -133.36 62.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.522 ' C ' ' O ' ' A' ' 100' ' ' ASP . 0.8 OUTLIER 28.34 72.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.454 ' CG ' ' O ' ' A' ' 101' ' ' ARG . 2.6 m-85 -175.98 -84.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 m 179.8 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.02 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -47.24 98.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.68 97.44 10.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.06 100.19 12.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.37 109.7 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.602 ' HB ' HG22 ' A' ' 96' ' ' ILE . 88.6 mt -74.73 -45.39 44.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.597 ' HA3' HD13 ' A' ' 8' ' ' LEU . . . -159.93 -167.36 20.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.679 ' CG ' HG23 ' A' ' 95' ' ' THR . 3.7 mt-10 -157.15 154.55 29.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.057 HG13 ' CB ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -155.51 153.85 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 113' ' ' ILE . 10.6 tp -141.17 153.24 45.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.702 ' O ' HG23 ' A' ' 113' ' ' ILE . 3.9 tp -145.81 95.32 4.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.89 11.24 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.62 57.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.56 -23.98 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.564 1.165 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 mm -65.04 137.92 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 6.6 pt-20 -122.18 115.37 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -108.52 8.57 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.28 -25.49 48.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.28 -67.51 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' LYS . . . -179.08 156.78 19.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' GLY . 1.4 ttpt -39.75 125.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.443 ' HE1' ' O ' ' A' ' 119' ' ' GLU . 10.3 ptp -119.49 135.25 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.944 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -75.56 143.98 42.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.625 ' H ' HD13 ' A' ' 126' ' ' LEU . 0.5 OUTLIER -143.05 149.38 38.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.27 133.94 37.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.573 ' CG ' HD13 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -124.06 155.29 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 130' ' ' GLU . 3.8 pt-20 -98.2 126.55 43.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.479 HG12 ' CD1' ' A' ' 96' ' ' ILE . 3.5 mt -77.6 125.76 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -141.77 -172.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.3 t -88.89 73.61 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.728 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 73.02 158.18 4.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -175.2 2.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.56 111.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.06 -58.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.28 96.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -178.11 148.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.47 126.75 1.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -134.91 170.8 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.032 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 53.74 175.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.87 129.67 9.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.516 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.5 mm? -63.53 -86.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.59 -169.34 26.93 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 11' ' ' LEU . 91.4 m -118.3 169.91 9.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 0.765 . . . . 0.0 110.358 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD23 HG11 ' A' ' 111' ' ' VAL . 5.9 tp -132.13 144.65 50.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.621 ' H ' HD12 ' A' ' 11' ' ' LEU . 17.1 m-85 -127.82 135.74 50.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 127' ' ' MET . 4.7 p90 -161.54 169.34 21.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.404 ' HB3' ' HG ' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -146.72 117.77 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.966 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 92' ' ' LEU . 3.0 mt -81.73 147.28 29.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -155.93 113.29 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -92.02 132.67 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.527 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 27.0 t30 -81.13 98.19 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -71.07 -33.03 69.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.19 -46.12 91.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.9 mtp85 -113.75 22.59 13.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' ASN . 2.8 mptt 36.02 69.07 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -131.9 178.28 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.605 ' HZ ' HD22 ' A' ' 15' ' ' LEU . 3.9 t80 -128.82 119.23 24.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.61 ' CG1' HG23 ' A' ' 76' ' ' THR . 4.4 t -108.06 112.34 39.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.57 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 66.1 t -104.26 90.15 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -77.56 138.51 39.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' LYS . 22.1 mt -117.13 99.85 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 28' ' ' ILE . 1.4 ttpt -61.67 -138.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 9.0 pt-20 -113.02 168.9 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB2' HD11 ' A' ' 48' ' ' ILE . . . -123.06 144.27 49.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.36 130.98 41.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.78 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 108.16 48.53 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 33' ' ' GLY . 3.1 mt -108.17 113.13 60.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 131.8 14.61 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.9 161.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 mmt -114.72 -33.06 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.81 171.71 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -116.92 2.83 12.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -83.87 -46.1 12.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.8 145.02 34.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.9 65.91 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.718 HG21 ' HG2' ' A' ' 67' ' ' LYS . 10.8 t -159.02 164.52 35.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.486 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 4.7 m -164.77 175.81 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 4.8 p30 -125.82 67.27 59.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.62 ' HG2' HD12 ' A' ' 34' ' ' LEU . 18.3 Cg_endo -75.0 160.67 39.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.779 ' CB ' HG12 ' A' ' 64' ' ' VAL . 24.4 p90 -156.07 141.93 18.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.59 ' CD1' HD13 ' A' ' 11' ' ' LEU . 36.2 mt -91.39 144.37 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.456 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 2.2 mttm -114.16 128.47 56.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.644 ' SD ' HD22 ' A' ' 92' ' ' LEU . 3.5 tmm? -96.48 150.5 20.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.535 HG22 HD22 ' A' ' 53' ' ' LEU . 32.5 m -157.96 129.7 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 110.384 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.486 HG23 ' HG ' ' A' ' 90' ' ' LEU . 3.1 mt -87.02 89.54 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.535 HD22 HG22 ' A' ' 51' ' ' THR . 3.3 mm? -84.65 156.08 61.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -26.59 9.11 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.018 0.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.575 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -22.35 -70.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.418 ' HG3' HG21 ' A' ' 51' ' ' THR . 4.2 tttt 79.55 5.97 2.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 59' ' ' LYS . 6.3 mmtt -71.01 -81.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -55.65 88.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' LYS . 25.4 mtpt -101.07 117.46 35.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.8 m -131.31 146.79 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' CB ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -127.98 166.2 18.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.4 p -107.0 136.82 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.434 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.96 135.47 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.779 HG12 ' CB ' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -83.33 129.14 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.858 HD23 ' CB ' ' A' ' 71' ' ' PRO . 4.0 mm? -67.86 172.64 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -115.93 123.93 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.718 ' HG2' HG21 ' A' ' 43' ' ' THR . 17.5 mttt 46.14 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 43' ' ' THR . 1.8 t -173.07 153.29 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.78 -23.65 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -121.78 85.96 45.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.858 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.06 142.14 27.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -123.88 90.84 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 5.7 m-85 -79.39 -42.5 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' PHE . 1.1 t0 38.59 43.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -176.12 6.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.61 HG23 ' CG1' ' A' ' 25' ' ' VAL . 2.9 m -158.57 126.84 5.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -123.86 115.62 21.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -88.01 156.81 19.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' O ' HD12 ' A' ' 82' ' ' ILE . 36.0 m-85 -151.42 112.48 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -93.46 153.11 18.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.58 -39.53 2.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.699 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.4 mp -51.48 114.61 5.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -74.98 21.17 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.529 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 22.3 t80 65.97 -57.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . 58.9 p -54.92 -18.6 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.05 -8.97 56.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.699 ' CD1' HG21 ' A' ' 82' ' ' ILE . 7.6 mm -61.08 -52.2 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -49.93 -33.1 16.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -79.05 -28.29 43.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -66.78 -171.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 174.47 118.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.83 ' CD1' HD21 ' A' ' 15' ' ' LEU . 9.9 mt -83.39 141.6 31.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.45 ' HB2' HD23 ' A' ' 53' ' ' LEU . 35.5 t-80 -122.55 105.34 10.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.642 ' CD2' HD21 ' A' ' 11' ' ' LEU . 27.5 m-85 -96.16 107.7 20.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 99.1 m -101.54 108.43 19.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.5 mp -80.02 85.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.687 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -120.71 167.22 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 46.6 t -115.37 146.86 41.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -92.6 159.0 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.18 151.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.55 ' HB3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 mmp_? -39.25 -62.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 101' ' ' ARG . 19.1 m-85 -150.54 58.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.5 m -87.08 13.95 8.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 56.71 35.87 26.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 59.74 92.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -91.95 81.41 5.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.495 HG12 ' CB ' ' A' ' 97' ' ' LEU . 16.6 mt -79.05 147.16 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.9 mt -103.49 -45.25 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.402 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -164.93 173.82 40.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -127.55 150.05 49.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.744 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.693 HG11 HD23 ' A' ' 11' ' ' LEU . 2.5 t -138.52 146.43 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 tp -141.33 138.8 33.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.694 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -133.9 95.67 17.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.2 5.97 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.21 2.73 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.8 t -61.56 85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.94 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 127.38 -32.82 3.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -53.29 137.41 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 5.9 pt-20 -124.61 110.73 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -104.19 19.44 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.8 m -66.3 -42.75 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -65.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.88 -146.17 4.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.35 138.05 32.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.423 ' O ' ' CG ' ' A' ' 125' ' ' MET . 9.3 ptp -133.89 129.84 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 127' ' ' MET . 0.4 OUTLIER -88.51 158.53 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.482 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 17.6 mtm -154.93 160.71 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.73 160.98 36.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.01 148.11 33.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.63 144.98 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.576 HG12 HD13 ' A' ' 96' ' ' ILE . 3.3 mt -105.24 114.57 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.1 pp -127.5 -172.61 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 t -87.25 73.48 9.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.516 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 64.99 156.65 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 96.59 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.482 1.78 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.2 t -82.88 94.57 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.1 t -172.64 116.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.098 . . . . 0.0 110.997 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 64.47 83.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -57.13 100.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.43 -103.55 3.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.6 t -129.0 140.19 51.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -141.61 -66.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.33 147.3 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.851 HD22 HG23 ' A' ' 108' ' ' ILE . 91.0 mt -93.59 -81.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.797 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . -173.71 -169.29 35.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.4 HG22 ' CE1' ' A' ' 12' ' ' PHE . 4.7 m -126.64 161.22 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 12' ' ' PHE . 10.2 tp -119.56 143.07 47.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.659 ' H ' HD12 ' A' ' 11' ' ' LEU . 16.6 m-85 -126.89 141.13 51.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.578 1.174 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.7 p90 -170.33 171.28 6.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.39 117.35 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD23 HG22 ' A' ' 26' ' ' VAL . 2.5 mt -79.97 141.3 36.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -151.6 118.3 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 66.8 t80 -98.93 130.82 45.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.661 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 23.7 t-20 -81.18 89.46 6.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 2.0 m-85 -60.89 -46.36 90.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 -49.97 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 22' ' ' LYS . 10.4 mtp180 -109.63 23.15 14.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' ASN . 1.3 mttt 35.01 69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.661 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -133.56 171.12 14.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.668 ' CZ ' HD11 ' A' ' 115' ' ' LEU . 8.4 t80 -120.93 126.09 49.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.045 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.766 HG12 HG23 ' A' ' 76' ' ' THR . 2.4 t -119.77 114.84 45.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.754 HG22 HD23 ' A' ' 15' ' ' LEU . 72.4 t -108.59 94.58 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.1 t-20 -78.92 126.78 31.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 29' ' ' LYS . 7.8 mt -103.4 103.01 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.82 -138.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 11.7 pt-20 -116.03 171.62 7.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -119.26 141.78 48.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.11 139.86 52.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.678 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 83.54 70.74 1.34 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.678 HD23 ' C ' ' A' ' 33' ' ' GLY . 10.4 mt -119.01 118.27 33.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.59 10.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.97 158.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.473 ' CE ' HG13 ' A' ' 108' ' ' ILE . 7.8 mmt -116.29 -44.33 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -106.01 154.55 20.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -100.18 34.55 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -80.56 -78.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.88 40.18 3.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.8 tpt 43.83 63.2 1.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 67' ' ' LYS . 14.6 t -174.74 152.47 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.528 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.2 p -142.55 178.07 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -116.76 74.4 6.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.0 Cg_endo -75.04 143.85 29.41 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.956 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 10.5 p90 -148.04 139.77 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.606 ' CD1' HD13 ' A' ' 11' ' ' LEU . 12.0 mt -92.06 136.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 24.9 mttt -101.96 125.32 48.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.626 ' HB3' HG23 ' A' ' 60' ' ' VAL . 1.9 ttp -96.85 142.93 28.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 56' ' ' LYS . 34.5 m -154.84 132.55 11.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.82 HD12 ' HB2' ' A' ' 58' ' ' HIS . 80.9 mt -90.19 104.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.2 mm? -90.55 156.11 45.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.672 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -74.96 -49.28 0.23 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.034 -0.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.672 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -8.64 -70.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 51' ' ' THR . 5.7 tttt 91.0 -5.95 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -57.53 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.82 ' HB2' HD12 ' A' ' 52' ' ' ILE . 8.3 m-70 -39.69 98.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.608 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LYS . 14.1 mtpt -119.55 121.62 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.626 HG23 ' HB3' ' A' ' 50' ' ' MET . 11.7 m -131.04 152.86 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -132.32 168.0 18.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.7 p -85.63 177.48 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 64' ' ' VAL . 1.9 ttt-85 -72.66 0.23 11.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 47' ' ' TYR . 46.2 t 52.44 100.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' A' ' 71' ' ' PRO . 1.3 mm? -62.18 161.11 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -114.58 105.25 12.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 68' ' ' THR . 55.4 mttt 58.84 107.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 165.65 113.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.6 -5.43 37.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -142.6 69.57 20.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.796 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 165.13 31.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -139.22 104.07 4.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -84.94 -49.46 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 43.27 42.03 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -88.75 171.33 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.766 HG23 HG12 ' A' ' 25' ' ' VAL . 4.3 m -146.39 133.48 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -125.58 121.88 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.2 m -97.92 152.14 19.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -144.4 134.16 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 78.8 m-85 -114.84 155.6 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 105.48 -9.58 45.28 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.56 1.163 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.714 HG21 ' CD1' ' A' ' 87' ' ' ILE . 4.8 mt -80.32 118.61 73.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.0 16.77 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.638 ' H ' HG22 ' A' ' 82' ' ' ILE . 16.2 t80 66.87 -59.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' PRO . 73.7 p -54.32 -18.01 3.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.455 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.58 -18.65 34.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.714 ' CD1' HG21 ' A' ' 82' ' ' ILE . 12.8 mm -51.03 -43.16 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -63.49 -11.04 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -108.0 9.46 28.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD12 HD13 ' A' ' 87' ' ' ILE . 78.5 mt -110.46 -173.62 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . . . 179.84 149.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.626 ' CD1' HD21 ' A' ' 15' ' ' LEU . 12.5 mt -113.84 141.28 47.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.477 ' CE1' ' OG1' ' A' ' 95' ' ' THR . 31.1 t-80 -118.41 106.15 12.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.565 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.475 ' CD2' HD21 ' A' ' 11' ' ' LEU . 24.8 m-85 -94.93 100.63 12.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.562 HG23 ' HG3' ' A' ' 110' ' ' GLU . 96.2 m -100.1 107.46 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.7 HD13 HG12 ' A' ' 131' ' ' ILE . 3.8 mp -82.14 84.12 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.956 HD21 ' CZ ' ' A' ' 47' ' ' TYR . 1.4 pt? -117.24 171.35 8.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -115.06 141.65 47.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 4.9 t80 -107.88 129.14 55.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 101' ' ' ARG . 1.1 m-20 -143.82 56.43 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER 41.92 -164.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 104' ' ' ARG . 2.1 m-85 53.82 19.83 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 104' ' ' ARG . 12.2 m 70.87 -59.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' SER . 3.0 ptm180 -38.64 143.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.459 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.93 114.41 5.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.451 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.1 OUTLIER -70.35 108.18 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.51 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 32.2 mt -83.46 138.69 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.851 HG23 HD22 ' A' ' 8' ' ' LEU . 5.8 mt -97.81 -47.2 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.404 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -163.66 176.77 39.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.562 ' HG3' HG23 ' A' ' 95' ' ' THR . 2.0 mp0 -132.16 146.43 52.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.8 t -137.26 152.97 28.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.0 tp -145.81 143.43 29.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.632 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 2.0 tp -139.68 97.79 8.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 131.7 14.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.802 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 33.3 mt -87.99 18.03 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.1 t -72.55 58.4 0.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 149.23 -24.47 1.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 120' ' ' LEU . 2.3 mm -50.87 135.25 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -126.6 100.86 6.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.457 HD11 ' CG2' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -91.06 3.08 55.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 8.7 t -62.64 -47.08 85.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.81 -55.62 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 167.61 156.2 9.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.09 113.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 17.7 ptp -101.54 150.44 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.699 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -98.31 137.29 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.699 ' N ' HD13 ' A' ' 126' ' ' LEU . 4.7 mtm -142.35 152.98 43.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -134.08 166.59 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -151.18 146.4 26.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -89.31 139.06 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.7 HG12 HD13 ' A' ' 96' ' ' ILE . 5.6 mt -98.98 120.03 47.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.3 pp -132.11 -172.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 t -93.22 76.95 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.489 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 66.94 152.62 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 56.45 4.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.024 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -57.73 127.89 34.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 m 64.88 112.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.934 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.31 87.64 5.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -63.24 162.02 12.74 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.08 -151.0 19.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.157 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -142.16 -53.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -168.37 -51.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.82 127.23 2.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 108' ' ' ILE . 36.9 mt -81.39 -85.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.478 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -165.96 -163.37 19.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.44 ' N ' HD12 ' A' ' 131' ' ' ILE . 74.0 m -126.39 162.64 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.975 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -130.5 122.39 27.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.975 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.7 m-85 -106.85 138.86 42.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' O ' HD13 ' A' ' 126' ' ' LEU . 11.0 p90 -167.13 169.21 12.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.737 ' HB3' HD22 ' A' ' 126' ' ' LEU . 80.9 p -144.94 130.58 18.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -88.04 148.54 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -159.45 123.98 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 57.7 t80 -104.13 133.37 49.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.794 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 47.7 t-20 -81.85 75.07 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 121' ' ' SER . 3.2 m-85 -48.34 -51.16 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -57.51 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.1 mtp180 -101.26 24.39 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.7 mttt 34.68 71.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.794 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -139.38 175.04 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CB ' HD13 ' A' ' 82' ' ' ILE . 10.0 t80 -121.15 145.15 48.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.71 ' CG1' HG23 ' A' ' 76' ' ' THR . 6.7 t -135.58 120.64 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.613 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 73.9 t -109.55 94.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -81.52 116.32 21.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.857 HG21 HG21 ' A' ' 62' ' ' THR . 55.4 mt -99.17 102.44 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.5 OUTLIER -61.42 -136.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.57 174.9 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.63 123.03 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.07 138.39 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 93.39 50.02 2.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 9.5 mt -99.88 118.69 61.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.15 11.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.554 1.818 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.03 150.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.6 mmt -107.86 -42.52 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.66 175.48 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -119.52 42.63 2.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -87.0 -77.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.68 48.84 2.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.0 OUTLIER 40.33 50.75 2.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.899 HG21 ' HG2' ' A' ' 67' ' ' LYS . 8.7 t -155.83 173.35 16.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.516 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 1.4 p -165.24 176.69 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -120.61 71.16 18.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 168.33 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 18.1 p90 -173.33 137.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.4 mt -91.12 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.858 ' HD2' HD13 ' A' ' 97' ' ' LEU . 10.2 mttt -107.52 126.03 52.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.853 ' HB3' HG23 ' A' ' 60' ' ' VAL . 8.3 ttp -96.19 130.82 43.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.659 HG21 ' CD ' ' A' ' 56' ' ' LYS . 60.9 m -140.27 128.36 22.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.528 ' O ' HG22 ' A' ' 52' ' ' ILE . 60.6 mt -85.27 81.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 ' HG2' ' A' ' 56' ' ' LYS . 2.1 mm? -65.84 155.54 86.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 -39.61 1.41 Allowed 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.0 0.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -56.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.659 ' CD ' HG21 ' A' ' 51' ' ' THR . 11.7 mtmt -60.79 -8.41 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 56' ' ' LYS . 5.1 mmtt -28.66 -77.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -60.05 82.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -99.3 131.3 45.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.853 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.5 m -150.94 143.61 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.2 160.91 28.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.857 HG21 HG21 ' A' ' 28' ' ' ILE . 37.9 p -93.93 132.97 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -37.4 115.9 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 2.1 p -75.5 102.89 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.5 mt -64.36 157.9 25.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -105.91 144.08 33.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.899 ' HG2' HG21 ' A' ' 43' ' ' THR . 3.4 mttm 42.48 82.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 9.1 t -176.18 119.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 7.6 mt -79.21 -26.95 42.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -121.37 78.58 35.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.555 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.95 140.24 25.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.437 1.756 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.503 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.36 96.97 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.9 m-85 -82.77 -43.73 16.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PHE . 2.3 m-20 39.19 45.68 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -86.8 -179.88 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.71 HG23 ' CG1' ' A' ' 25' ' ' VAL . 3.0 m -158.66 129.98 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 68.7 m-85 -121.25 125.16 46.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -100.89 141.32 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.494 ' HB2' HD11 ' A' ' 82' ' ' ILE . 19.4 m-85 -139.6 121.4 15.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -99.88 128.01 46.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.47 -32.87 1.82 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.746 HG21 ' CD1' ' A' ' 87' ' ' ILE . 1.7 mp -61.04 116.61 19.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.564 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 17.55 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB3' ' O ' ' A' ' 83' ' ' PRO . 24.9 t80 67.75 -57.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 83' ' ' PRO . 81.8 p -56.04 -16.92 5.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -90.0 -10.31 45.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.746 ' CD1' HG21 ' A' ' 82' ' ' ILE . 6.0 mm -58.47 -39.29 74.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -65.82 -9.42 28.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.13 12.25 28.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 79.4 mt -110.94 -175.54 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' LEU . . . -178.45 121.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.578 ' HB2' HG22 ' A' ' 113' ' ' ILE . 15.9 mt -84.25 124.38 31.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 24.4 t-80 -105.49 105.42 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.418 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 26.5 m-85 -94.02 102.23 14.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.61 ' CG2' HD11 ' A' ' 97' ' ' LEU . 32.2 m -98.16 118.33 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.772 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.8 mp -87.56 85.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.858 HD13 ' HD2' ' A' ' 49' ' ' LYS . 3.8 mp -97.68 -165.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.4 t -152.95 149.0 27.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -74.4 105.38 5.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -103.61 120.67 41.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.522 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -72.93 56.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 101' ' ' ARG . 42.8 m-85 -166.83 29.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.2 m 73.56 -57.97 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -44.9 168.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -135.49 124.54 24.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.46 102.56 13.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.41 122.47 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.552 HG23 HD22 ' A' ' 8' ' ' LEU . 9.6 mt -88.71 -44.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.09 167.08 39.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -123.16 130.8 53.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.775 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.418 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 3.3 t -126.15 145.28 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.157 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tp -140.85 139.48 34.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 113' ' ' ILE . 2.6 tp -137.43 97.16 10.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 124.72 8.84 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.65 18.88 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.24 58.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 150.16 -20.19 1.08 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.44 ' CG2' HD11 ' A' ' 120' ' ' LEU . 2.6 mm -51.74 144.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.784 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -134.68 104.73 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.446 HD22 ' H ' ' A' ' 120' ' ' LEU . 0.3 OUTLIER -96.71 11.56 35.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 19' ' ' PHE . 10.0 t -56.39 -57.24 13.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -51.88 35.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.66 -145.13 8.8 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.417 ' NZ ' ' OG ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -91.95 122.03 34.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 18.4 ptp -107.03 144.86 33.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -92.75 138.31 31.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 113' ' ' ILE . 3.9 mtm -143.59 145.7 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -135.53 149.27 49.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 113' ' ' ILE . 14.9 mmt180 -139.28 144.11 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 147.37 31.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 9' ' ' GLY . 8.0 mt -106.81 122.56 61.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.491 ' CA ' HD12 ' A' ' 8' ' ' LEU . 2.1 pp -136.62 -171.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.9 t -90.23 80.7 6.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.71 156.04 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 82.54 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.81 83.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.1 t -46.32 159.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.984 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -115.19 142.82 46.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 0.811 . . . . 0.0 109.984 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.99 106.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.72 -110.63 3.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.91 161.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.975 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.6 101.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.18 142.71 9.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 108' ' ' ILE . 79.7 mt -100.96 -70.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 33' ' ' GLY . . . 175.68 -170.93 44.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 11' ' ' LEU . 55.2 m -123.6 170.59 10.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.94 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -136.99 121.69 18.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.94 ' N ' HD22 ' A' ' 11' ' ' LEU . 18.1 m-85 -105.37 141.67 36.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CD1' HD13 ' A' ' 11' ' ' LEU . 8.4 p90 -168.16 174.98 6.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.772 ' HB3' HD22 ' A' ' 126' ' ' LEU . 8.0 p -151.5 122.07 7.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 92' ' ' LEU . 0.7 OUTLIER -80.14 152.7 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' VAL . 4.1 tt0 -159.74 130.98 5.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 84' ' ' TYR . 29.4 t80 -101.41 130.07 47.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.697 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 11.1 t30 -79.49 60.97 3.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -41.18 -48.18 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -41.61 -59.87 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' LYS . 70.8 mtt180 -102.64 25.31 9.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER 38.44 63.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -132.99 177.37 7.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.676 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 5.8 t80 -117.67 142.16 47.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.671 HG12 HG23 ' A' ' 76' ' ' THR . 11.9 t -130.98 121.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.676 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 89.3 t -114.56 95.42 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 8.0 t-20 -82.95 124.67 30.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.424 HD12 ' HE2' ' A' ' 77' ' ' PHE . 76.7 mt -105.97 103.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -137.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.486 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.4 OUTLIER -114.63 176.21 5.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.96 124.98 38.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.55 140.62 44.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.591 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 84.52 72.38 1.29 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.591 HD23 ' C ' ' A' ' 33' ' ' GLY . 9.9 mt -116.21 119.16 37.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.66 144.3 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 70.1 mmm -118.91 -34.69 3.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -98.23 168.91 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.04 64.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -116.3 -69.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.11 38.59 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.55 35.89 26.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 111.056 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 9.8 t -132.1 -178.77 5.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.536 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -165.26 177.14 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.527 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 1.4 m-20 -126.37 64.01 53.61 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.99 156.95 43.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.085 ' CE2' HD21 ' A' ' 97' ' ' LEU . 51.3 p90 -158.51 145.05 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.414 HD13 ' HG ' ' A' ' 11' ' ' LEU . 18.5 mt -91.91 146.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 0.4 OUTLIER -116.46 128.79 55.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' A' ' 51' ' ' THR . 2.9 tmm? -96.0 146.58 24.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.583 HG23 ' HG2' ' A' ' 59' ' ' LYS . 87.5 m -156.79 131.44 8.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.477 HG23 ' HG ' ' A' ' 90' ' ' LEU . 3.7 mt -89.87 103.09 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.56 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 22.5 mt -90.27 158.15 44.08 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 -42.29 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.981 -2.508 . . . . 0.0 110.978 0.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.621 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -14.61 -65.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 54' ' ' PRO . 7.1 tttt 81.74 5.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -67.33 -74.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.345 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.675 ' CD2' HD11 ' A' ' 82' ' ' ILE . 3.1 m-70 -50.05 93.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.601 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 51' ' ' THR . 10.0 mtpt -115.87 117.61 30.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.7 m -134.63 163.03 37.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -149.52 165.96 30.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.466 ' HG1' ' HD1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -108.48 142.13 39.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.432 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.62 104.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 45' ' ' ASP . 1.4 p -58.18 101.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 71' ' ' PRO . 2.6 mt -53.57 149.15 8.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 67' ' ' LYS . 21.2 mmt-85 -101.57 137.72 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 28.8 mtmt 43.9 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 3.9 t -178.24 112.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.99 -18.43 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -131.58 74.83 77.63 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.492 ' HB2' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 139.82 24.79 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -120.71 98.55 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.466 ' HD1' ' HG1' ' A' ' 62' ' ' THR . 8.4 m-85 -80.15 -47.46 14.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 40.75 40.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -90.21 170.43 10.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.671 HG23 HG12 ' A' ' 25' ' ' VAL . 3.2 m -148.44 126.15 11.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.424 ' HE2' HD12 ' A' ' 28' ' ' ILE . 71.9 m-85 -114.56 119.63 37.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.543 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m -90.18 155.99 18.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 78' ' ' THR . 42.0 m-85 -152.45 128.4 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 67.6 m-85 -107.6 161.36 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.91 -38.07 3.25 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 58' ' ' HIS . 3.1 mt -61.77 114.51 11.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 18.2 Cg_endo -75.06 136.13 19.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 23.5 t80 -49.15 -25.76 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 49.5 p -74.51 -21.43 59.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.364 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -86.95 -10.76 52.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 8.4 mm -60.74 -61.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -48.55 -33.58 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -81.42 -25.12 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -67.76 -170.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 175.26 122.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.595 HD21 ' HE2' ' A' ' 24' ' ' PHE . 10.5 mt -87.29 144.76 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 34.5 t-80 -126.43 104.25 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.602 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 111' ' ' VAL . 29.3 m-85 -94.42 108.8 20.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 ' HG3' ' A' ' 110' ' ' GLU . 93.1 m -100.89 105.42 16.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.654 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.9 mp -78.18 82.76 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.085 HD21 ' CE2' ' A' ' 47' ' ' TYR . 1.6 pt? -117.36 169.79 9.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -127.11 154.64 44.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.004 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.619 ' CE1' ' O ' ' A' ' 100' ' ' ASP . 4.0 t80 -88.52 127.47 35.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.619 ' O ' ' CE1' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -111.82 -163.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 ttm-85 -99.53 172.48 7.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.519 ' O ' ' CB ' ' A' ' 103' ' ' SER . 5.4 m-30 55.57 19.6 3.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 102' ' ' PHE . 1.7 t 88.32 -38.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER -38.52 139.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.72 126.19 47.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.74 100.87 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.516 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 20.4 mt -79.27 138.85 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.542 HG23 HD22 ' A' ' 8' ' ' LEU . 6.1 mt -96.69 -45.1 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -169.55 167.72 40.72 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.423 ' HG3' HG23 ' A' ' 95' ' ' THR . 1.8 mp0 -121.88 150.74 41.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 0.777 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.3 t -137.22 153.68 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.9 tp -145.05 143.07 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.63 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 1.1 tp -141.09 97.82 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.38 6.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 12.3 mt -75.84 -0.94 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.7 t -62.9 105.54 0.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.43 -35.97 4.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.512 HG23 ' CE ' ' A' ' 125' ' ' MET . 1.4 mm -53.17 138.95 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 10.1 pt-20 -119.66 115.62 24.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 15' ' ' LEU . 1.2 mt -101.6 -1.49 32.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' LEU . 93.7 p -38.41 -62.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -42.37 -42.65 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 120' ' ' LEU . . . 153.33 -135.16 4.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -89.04 140.74 29.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.746 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.512 ' CE ' HG23 ' A' ' 118' ' ' ILE . 15.8 ptp -130.29 146.0 51.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.772 HD22 ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -94.63 137.53 33.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.747 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.3 mtm -143.06 155.54 44.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.08 163.55 30.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -151.14 147.58 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -86.8 143.89 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.651 HG12 HD13 ' A' ' 96' ' ' ILE . 5.1 mt -101.64 123.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 2.1 pp -137.63 -171.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.5 t -89.9 79.95 6.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.44 152.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.93 2.18 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 t -160.41 107.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.034 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.4 m -108.31 150.33 27.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.954 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -154.92 148.51 25.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -166.59 167.2 15.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.78 142.68 3.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -167.67 162.19 13.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 110.011 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.84 104.61 6.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.1 141.62 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.9 mm? -69.81 -91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.363 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -154.71 -158.25 8.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 m -131.24 161.43 32.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 0.727 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 48' ' ' ILE . 8.4 tp -123.2 137.09 54.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.598 ' N ' HD12 ' A' ' 11' ' ' LEU . 16.4 m-85 -120.33 138.02 53.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 4.9 p90 -166.7 166.38 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.673 ' HB3' HD22 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -139.44 118.21 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.712 HD21 HD23 ' A' ' 92' ' ' LEU . 2.3 mt -83.9 146.48 28.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -155.16 121.89 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 84' ' ' TYR . 50.2 t80 -95.65 142.59 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -109.82 113.6 26.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' ARG . 85.7 m-85 -81.01 -166.11 1.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 68.77 -57.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 22' ' ' LYS . 21.3 mtp180 -105.46 17.52 23.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER 37.62 66.82 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.624 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . . . -120.19 161.67 20.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.669 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.1 t80 -125.06 141.15 52.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 76' ' ' THR . 2.5 t -129.2 119.31 48.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.741 HG11 ' HG ' ' A' ' 92' ' ' LEU . 48.7 t -119.04 90.12 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -73.01 137.28 45.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.472 HG21 HG21 ' A' ' 62' ' ' THR . 7.1 mt -114.83 100.85 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -61.89 -138.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 8.2 pt-20 -114.21 174.39 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.91 143.17 50.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.85 131.75 31.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 106.17 42.13 1.69 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD11 HG21 ' A' ' 96' ' ' ILE . 5.0 mp -105.91 118.05 56.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.19 14.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 133.46 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 106' ' ' ASP . 1.6 mmt -86.93 -46.04 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -96.54 166.19 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -103.57 -167.33 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 1.9 mt-30 67.24 -59.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' GLU . 22.7 t -110.81 104.6 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.42 ' O ' ' HB ' ' A' ' 43' ' ' THR . 0.3 OUTLIER -62.76 75.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' ' 67' ' ' LYS . 10.2 t -175.97 168.73 2.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.448 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.58 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.7 m -165.66 178.47 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.86 67.63 15.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.58 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.98 142.12 27.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 1.011 ' CE2' HD21 ' A' ' 97' ' ' LEU . 36.0 p90 -136.29 140.13 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.602 ' CD1' HD13 ' A' ' 11' ' ' LEU . 58.0 mt -91.55 133.32 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 93' ' ' HIS . 4.6 mttm -103.33 114.72 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.464 ' HB3' HG23 ' A' ' 60' ' ' VAL . 7.5 ttp -96.5 145.48 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.846 HG23 ' HG3' ' A' ' 59' ' ' LYS . 95.1 m -149.54 128.19 12.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.712 HD11 ' CE2' ' A' ' 79' ' ' PHE . 60.2 mt -81.56 81.55 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.755 HD13 ' HG3' ' A' ' 56' ' ' LYS . 2.5 mm? -67.16 154.4 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.94 -42.28 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.047 -2.481 . . . . 0.0 111.019 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' ILE . 28.0 mt-10 -53.64 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.755 ' HG3' HD13 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -63.18 -10.92 17.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -35.2 -63.97 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' ND1' ' HG3' ' A' ' 57' ' ' LYS . 15.6 m-70 -68.78 62.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.588 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.846 ' HG3' HG23 ' A' ' 51' ' ' THR . 0.5 OUTLIER -86.9 136.47 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.464 HG23 ' HB3' ' A' ' 50' ' ' MET . 15.7 m -147.76 149.41 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.51 157.45 44.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.472 HG21 HG21 ' A' ' 28' ' ' ILE . 17.7 p -87.95 165.86 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.366 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -60.39 147.73 39.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -88.01 100.65 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 71' ' ' PRO . 0.7 OUTLIER -58.34 164.89 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' A' ' 67' ' ' LYS . 10.3 mmt85 -117.94 119.62 35.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HB3' HG21 ' A' ' 43' ' ' THR . 7.2 mttt 41.0 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.521 ' O ' ' CG2' ' A' ' 68' ' ' THR . 2.4 t -176.16 108.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.3 mm? -60.55 -35.06 75.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -117.16 80.65 12.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.98 149.81 37.34 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.513 1.796 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -124.8 103.17 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CE1' HD23 ' A' ' 65' ' ' LEU . 3.4 m-85 -87.49 -45.24 10.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 t0 41.27 46.79 2.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 179.24 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.455 HG23 HG12 ' A' ' 25' ' ' VAL . 16.8 m -156.09 145.27 20.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.427 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 28.4 m-85 -133.53 132.81 41.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -110.41 135.67 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 52' ' ' ILE . 47.5 m-85 -136.56 112.87 9.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.624 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 92.6 m-85 -89.92 148.18 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 110.69 -51.64 0.69 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.761 HG21 HD11 ' A' ' 90' ' ' LEU . 3.2 mt -51.02 112.14 2.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HG2' ' HB2' ' A' ' 86' ' ' GLN . 18.3 Cg_endo -74.98 142.69 28.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 27.5 t80 -49.73 -32.17 13.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.6 p -69.57 -19.4 63.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -88.18 -20.04 26.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 84' ' ' TYR . 9.2 mm -51.17 -50.94 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -60.38 -12.27 8.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.89 9.91 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.761 HD11 HG21 ' A' ' 82' ' ' ILE . 71.8 mt -105.76 -179.56 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . . . -178.75 119.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.741 ' HG ' HG11 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -85.16 118.32 24.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 23.1 t-80 -99.97 105.05 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 111' ' ' VAL . 32.4 m-85 -97.6 136.32 38.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.728 HG23 ' HG3' ' A' ' 110' ' ' GLU . 90.4 m -127.86 113.57 16.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.773 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.6 mp -85.98 82.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.011 HD21 ' CE2' ' A' ' 47' ' ' TYR . 1.4 pt? -118.72 171.76 7.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.0 t -114.87 146.82 40.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -89.8 115.89 27.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -109.75 149.98 29.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -58.24 174.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 101' ' ' ARG . 9.7 m-85 67.88 -58.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' ARG . 6.6 p 167.81 -49.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.027 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 100' ' ' ASP . 5.7 mtm180 -37.6 143.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 105' ' ' ASP . 0.9 OUTLIER -141.41 110.48 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.465 ' HB3' ' CE ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -75.06 110.29 9.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 97' ' ' LEU . 21.9 mt -83.72 147.56 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.437 HG22 ' HG ' ' A' ' 8' ' ' LEU . 3.2 mt -105.04 -44.51 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.86 164.47 37.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.728 ' HG3' HG23 ' A' ' 95' ' ' THR . 0.1 OUTLIER -114.38 166.18 11.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 110.277 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.516 HG11 HD23 ' A' ' 11' ' ' LEU . 3.5 t -151.04 152.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 tp -147.81 139.18 23.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.687 ' O ' HG23 ' A' ' 113' ' ' ILE . 1.5 tp -136.99 95.26 12.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.448 1.762 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.602 HD11 HD21 ' A' ' 92' ' ' LEU . 20.9 mt -79.01 2.47 20.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.8 t -67.68 98.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 114.95 -31.16 6.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.23 139.87 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.563 0.802 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 119' ' ' GLU . 9.1 pt-20 -120.37 114.95 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.17 16.96 23.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.7 p -69.26 -54.5 14.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -52.99 19.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.261 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.93 157.52 10.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.84 143.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 13.0 ptp -134.64 145.84 48.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.765 HD13 ' N ' ' A' ' 127' ' ' MET . 0.5 OUTLIER -89.3 141.55 28.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.765 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 mtm -142.84 152.55 42.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.38 158.17 45.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.45 148.74 39.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -93.82 141.07 28.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.544 HG12 HD13 ' A' ' 96' ' ' ILE . 4.8 mt -99.31 116.7 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.2 pp -125.72 -173.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.5 t -84.78 78.34 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.416 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 57.3 161.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.14 31.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.52 160.37 5.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.08 162.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -135.1 -55.87 0.81 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 0.744 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m 58.54 157.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.2 136.56 9.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -171.23 121.72 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -85.43 65.53 9.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.47 140.57 2.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 33' ' ' GLY . 2.0 mm? -68.72 -93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.82 -163.3 17.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 11' ' ' LEU . 93.7 m -118.89 172.92 7.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.781 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.983 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -141.17 123.93 16.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.983 ' N ' HD22 ' A' ' 11' ' ' LEU . 16.6 m-85 -108.64 140.47 41.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.8 p90 -163.47 165.22 24.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.617 ' HB3' HD22 ' A' ' 126' ' ' LEU . 13.3 p -138.98 129.27 25.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.726 HD21 ' CD1' ' A' ' 92' ' ' LEU . 3.8 mt -92.08 146.42 23.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' VAL . 1.5 tt0 -156.94 126.17 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.0 t80 -103.41 126.56 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.597 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 41.7 t-20 -68.94 100.05 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.35 -35.18 65.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -41.12 95.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 22' ' ' LYS . 8.8 mtp180 -116.41 20.41 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER 35.9 71.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.597 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -137.85 176.57 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' CG2' ' A' ' 26' ' ' VAL . 12.1 t80 -116.99 136.96 52.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.715 HG12 HG23 ' A' ' 76' ' ' THR . 2.9 t -129.42 120.85 51.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.624 ' CG2' ' CE2' ' A' ' 24' ' ' PHE . 98.3 t -112.24 96.65 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 6.6 t-20 -81.82 135.51 35.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.639 HG21 HG21 ' A' ' 62' ' ' THR . 28.2 mt -111.55 101.83 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -61.98 -134.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.51 168.92 9.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.02 131.59 53.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.88 132.41 53.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.784 ' C ' HD23 ' A' ' 34' ' ' LEU . . . 106.14 47.28 1.09 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 33' ' ' GLY . 3.3 mt -109.37 117.09 53.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.99 130.62 13.46 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 35' ' ' PRO . . . -37.58 148.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.51 -40.82 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -99.89 164.05 12.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -114.24 66.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -114.92 -64.36 1.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.04 48.8 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 47.55 48.89 16.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.444 ' OG1' ' HA ' ' A' ' 67' ' ' LYS . 7.5 t -159.1 175.47 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.484 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 p -165.91 176.28 7.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 65' ' ' LEU . 9.6 m-20 -117.39 75.66 8.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 159.29 41.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.756 ' HB3' HG12 ' A' ' 64' ' ' VAL . 46.5 p90 -158.83 138.98 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 95' ' ' THR . 90.3 mt -92.12 146.5 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -109.03 126.8 53.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.906 ' HB3' HG23 ' A' ' 60' ' ' VAL . 5.4 ttp -102.29 133.18 47.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.689 HG21 ' HG3' ' A' ' 56' ' ' LYS . 39.4 m -139.33 143.56 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 56' ' ' LYS . 6.0 mt -98.62 96.29 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.743 HD23 ' HB2' ' A' ' 56' ' ' LYS . 30.5 mt -89.71 159.94 42.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.637 ' HA ' ' HB3' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.94 -39.01 1.56 Allowed 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.995 -0.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.586 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.9 pt-20 -21.69 -51.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.743 ' HB2' HD23 ' A' ' 53' ' ' LEU . 3.0 tttt 62.4 12.84 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -71.84 -64.8 0.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 5.8 m-70 -62.75 94.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -105.89 129.76 53.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.906 HG23 ' HB3' ' A' ' 50' ' ' MET . 13.1 m -147.49 149.82 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -131.19 161.3 32.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.639 HG21 HG21 ' A' ' 28' ' ' ILE . 40.7 p -96.83 147.36 24.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 126.43 27.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.756 HG12 ' HB3' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -74.77 132.75 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.686 HD23 ' CB ' ' A' ' 71' ' ' PRO . 4.0 mm? -78.77 167.41 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -109.5 119.6 39.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HA ' ' OG1' ' A' ' 43' ' ' THR . 42.4 mttt 50.75 81.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.343 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 t -175.5 121.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 2.9 mm? -77.16 -22.91 51.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -117.91 86.07 24.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.686 ' CB ' HD23 ' A' ' 65' ' ' LEU . 18.1 Cg_endo -75.01 151.54 39.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -129.53 89.98 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 6.2 m-85 -79.64 -44.64 20.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 73' ' ' PHE . 32.3 t70 37.81 42.49 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -86.23 179.36 6.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.715 HG23 HG12 ' A' ' 25' ' ' VAL . 6.0 m -155.5 125.37 6.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -118.54 130.18 55.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 m -103.07 152.7 21.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.384 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -150.52 120.54 7.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.4 146.31 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.64 -28.07 5.81 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.756 HG21 ' CD1' ' A' ' 87' ' ' ILE . 3.1 mp -65.54 116.15 28.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.55 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -74.98 16.46 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.526 1.803 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.562 ' H ' HG22 ' A' ' 82' ' ' ILE . 23.3 t80 68.42 -57.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 83' ' ' PRO . 67.5 p -57.04 -16.55 7.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -89.26 -12.08 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.756 ' CD1' HG21 ' A' ' 82' ' ' ILE . 8.8 mm -55.42 -36.44 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -73.33 -3.87 29.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.52 3.79 21.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 51.2 mt -103.21 -165.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 90' ' ' LEU . . . 173.68 128.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.726 ' CD1' HD21 ' A' ' 15' ' ' LEU . 8.2 mt -93.49 142.71 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.544 ' HB2' HD12 ' A' ' 53' ' ' LEU . 33.0 t-80 -123.17 105.13 9.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.609 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.426 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 28.5 m-85 -94.16 103.57 15.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.691 ' HB ' HD11 ' A' ' 97' ' ' LEU . 24.9 m -94.93 136.9 34.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.441 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.52 HG13 ' CG2' ' A' ' 131' ' ' ILE . 0.9 OUTLIER -97.81 89.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 95' ' ' THR . 2.1 mp -103.56 -169.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.19 143.13 20.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -74.35 118.51 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -101.98 153.81 19.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -69.26 -24.18 63.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -96.1 -83.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.05 -43.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 109.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.11 123.3 26.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.11 91.36 5.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.3 mt -66.83 110.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 96' ' ' ILE . 7.6 mt -76.29 -40.86 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.52 -170.77 25.55 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.662 ' HG3' HG23 ' A' ' 95' ' ' THR . 2.1 mt-10 -148.63 151.48 35.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.426 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.7 t -145.89 148.88 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 92' ' ' LEU . 6.8 tp -144.27 140.59 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.634 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.9 OUTLIER -137.53 96.85 10.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 123.69 8.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 28.4 mt -83.02 6.41 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.0 t -69.5 64.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 150.46 -27.36 1.08 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.147 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 mm -65.26 142.45 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.51 ' O ' ' HE3' ' A' ' 125' ' ' MET . 0.0 OUTLIER -119.87 129.39 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 15' ' ' LEU . 56.8 mt -113.85 10.01 17.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.459 ' N ' ' OE1' ' A' ' 119' ' ' GLU . 1.3 t -51.04 -62.03 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -45.05 -62.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 175.51 -137.46 3.78 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.25 143.94 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.51 ' HE3' ' O ' ' A' ' 119' ' ' GLU . 16.7 ptp -129.61 148.21 51.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 127' ' ' MET . 0.3 OUTLIER -100.92 134.5 43.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.782 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.4 mtm -142.49 156.29 45.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -135.02 159.82 40.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -147.8 144.45 28.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -85.49 148.32 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.52 ' CG2' HG13 ' A' ' 96' ' ' ILE . 12.2 mt -106.1 118.32 53.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.478 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.2 pp -127.89 -171.94 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.9 t -90.01 68.76 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.478 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 68.63 154.43 0.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 136' ' ' SER . 18.3 Cg_endo -75.01 54.87 3.78 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 135' ' ' PRO . 0.3 OUTLIER 59.31 117.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.05 118.39 25.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.36 117.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.17 138.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.96 -138.49 5.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.82 157.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 p -104.74 92.39 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.4 146.86 6.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HB2' HG22 ' A' ' 131' ' ' ILE . 2.3 mm? -68.71 -87.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.447 ' C ' HD12 ' A' ' 131' ' ' ILE . . . -165.5 -165.97 23.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 11' ' ' LEU . 98.2 m -118.19 170.29 9.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 0.717 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.955 HD22 ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -137.9 122.73 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.955 ' N ' HD22 ' A' ' 11' ' ' LEU . 15.3 m-85 -106.11 139.04 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -166.4 174.67 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.61 ' HB3' HD22 ' A' ' 126' ' ' LEU . 2.8 p -149.35 143.26 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD21 ' CD1' ' A' ' 92' ' ' LEU . 4.5 mt -104.51 145.45 30.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' VAL . 2.6 tt0 -157.12 129.56 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 23' ' ' ALA . 60.4 t80 -101.0 131.47 46.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.77 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 32.8 t-20 -75.51 58.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 121' ' ' SER . 85.9 m-85 -35.12 -49.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.64 -49.92 10.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.2 mtp85 -109.88 22.93 15.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER 36.92 67.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.77 ' HB3' ' HB3' ' A' ' 18' ' ' ASN . . . -136.09 170.89 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.595 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.9 t80 -111.77 137.34 49.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG12 HG23 ' A' ' 76' ' ' THR . 2.2 t -129.15 114.95 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.595 HG22 ' CZ ' ' A' ' 24' ' ' PHE . 78.5 t -109.03 98.42 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 75' ' ' GLU . 9.2 t-20 -83.47 133.48 34.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.008 HG21 HG21 ' A' ' 62' ' ' THR . 17.4 mt -112.73 99.97 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 28' ' ' ILE . 3.1 tttp -61.17 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' CB ' ' HA ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -113.47 174.44 5.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.92 128.69 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.22 139.51 51.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' LEU . . . 92.7 48.0 3.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 46' ' ' PRO . 8.4 mt -99.66 119.6 59.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.52 14.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.32 145.6 21.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.419 ' CE ' HG12 ' A' ' 108' ' ' ILE . 9.9 mmt -110.22 -30.78 7.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -107.95 -179.67 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -118.83 -7.95 10.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLU . 3.8 mt-30 -38.74 -80.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.39 46.06 2.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.434 ' CE ' HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER 43.66 33.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.552 HG21 ' HB3' ' A' ' 67' ' ' LYS . 6.0 t -130.16 -176.0 3.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.472 ' C ' ' HD3' ' A' ' 46' ' ' PRO . 3.1 p -165.55 176.04 8.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.01 68.11 63.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HD3' ' C ' ' A' ' 44' ' ' SER . 18.5 Cg_endo -74.94 170.01 21.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 111.048 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 97' ' ' LEU . 1.3 p90 -175.95 142.03 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mt -91.3 153.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 93' ' ' HIS . 13.3 mttt -120.65 128.87 53.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.695 ' HB3' HG23 ' A' ' 60' ' ' VAL . 3.6 tmm? -95.94 148.14 22.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.509 ' CG2' ' HG2' ' A' ' 56' ' ' LYS . 97.1 m -155.81 125.65 6.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 58' ' ' HIS . 6.8 mt -85.6 97.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 54' ' ' PRO . 11.7 mt -87.63 157.16 52.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.0 -43.93 0.62 Allowed 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.02 -0.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.659 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -12.01 -66.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER 80.85 1.59 1.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.536 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -70.18 -55.86 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -66.66 73.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LYS . 12.1 ttmt -97.33 121.92 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.695 HG23 ' HB3' ' A' ' 50' ' ' MET . 13.5 m -141.07 145.55 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.29 148.18 47.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 28' ' ' ILE . 12.0 p -87.22 143.43 27.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.583 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 3.1 ttm180 -38.05 138.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -105.85 95.55 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 71' ' ' PRO . 1.4 mt -55.0 169.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 64' ' ' VAL . 21.9 mmt-85 -117.78 123.8 46.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 43' ' ' THR . 4.1 mttt 58.81 89.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 67' ' ' LYS . 8.0 t -177.16 119.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.437 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' CE ' ' A' ' 42' ' ' MET . 6.2 mt -76.9 -26.65 54.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -123.73 75.58 55.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.98 139.91 24.9 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.485 ' HA ' ' CB ' ' A' ' 30' ' ' GLU . . . -122.91 97.03 5.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 71' ' ' PRO . 1.8 m-85 -84.66 -39.6 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.38 48.91 2.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 3.6 mm-40 -88.8 170.62 10.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.57 HG23 HG12 ' A' ' 25' ' ' VAL . 15.5 m -152.74 131.61 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.438 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -121.46 131.49 54.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.481 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 1.5 m -102.83 155.42 18.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.388 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 78' ' ' THR . 26.4 m-85 -151.48 121.24 7.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.401 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 49.2 m-85 -104.44 148.22 26.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.2 -24.21 8.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.644 HG21 ' CD1' ' A' ' 87' ' ' ILE . 2.7 mp -66.73 121.97 80.01 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -75.05 15.77 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.585 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.2 t80 68.55 -56.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.9 p -57.75 -15.67 8.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -88.71 -15.14 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.644 ' CD1' HG21 ' A' ' 82' ' ' ILE . 14.2 mm -51.75 -47.17 39.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -63.34 -11.19 20.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.71 10.06 40.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 53' ' ' LEU . 70.5 mt -110.25 -172.37 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.98 131.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.674 HD22 ' SD ' ' A' ' 50' ' ' MET . 13.5 mt -98.99 137.35 37.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 35.9 t-80 -118.1 105.04 11.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.578 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.441 ' HB2' ' CG1' ' A' ' 111' ' ' VAL . 26.1 m-85 -93.42 100.16 12.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.596 ' O ' HD12 ' A' ' 97' ' ' LEU . 26.0 m -92.01 118.22 30.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.411 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.714 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.7 mp -88.13 88.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 95' ' ' THR . 4.2 mp -94.19 -164.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.45 102.13 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' CB ' HG21 ' A' ' 64' ' ' VAL . 20.7 t80 -76.33 138.86 40.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 0.5 OUTLIER -166.48 61.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.517 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 1.9 ptt85 45.8 -173.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.5 ' CD1' ' HD2' ' A' ' 101' ' ' ARG . 8.2 m-85 35.22 34.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER 77.41 -70.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 103' ' ' SER . 2.5 mmt180 38.82 91.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.81 79.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.0 93.36 6.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.59 98.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.693 ' HB ' HG22 ' A' ' 96' ' ' ILE . 72.0 mt -67.21 -32.06 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.501 ' HA3' HG23 ' A' ' 131' ' ' ILE . . . -178.89 167.67 38.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.34 136.9 53.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 0.793 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 94' ' ' PHE . 2.6 t -129.39 150.03 34.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 92' ' ' LEU . 7.5 tp -145.99 143.7 29.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -140.53 96.51 7.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 123.04 7.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 24' ' ' PHE . 11.4 mt -76.7 0.19 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.35 76.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 115' ' ' LEU . . . 136.49 -41.11 1.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.404 HD12 ' SD ' ' A' ' 125' ' ' MET . 2.6 mm -43.28 139.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -115.86 103.63 10.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 15' ' ' LEU . 68.3 mt -92.98 -14.32 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 120' ' ' LEU . 1.0 OUTLIER -32.13 -65.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -40.54 -58.71 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.89 -140.82 6.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -81.64 142.04 33.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.404 ' SD ' HD12 ' A' ' 118' ' ' ILE . 13.9 ptp -131.18 140.37 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.699 HD13 ' N ' ' A' ' 127' ' ' MET . 0.7 OUTLIER -94.35 137.4 33.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.699 ' N ' HD13 ' A' ' 126' ' ' LEU . 8.0 mtm -144.08 154.86 43.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 0.6 OUTLIER -135.65 140.78 44.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.87 150.52 46.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 149.02 21.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 8' ' ' LEU . 5.4 mt -109.08 113.93 45.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.486 HD13 ' O ' ' A' ' 134' ' ' GLY . 2.2 pp -127.75 -172.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.0 t -89.96 75.09 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.486 ' O ' HD13 ' A' ' 132' ' ' ILE . . . 62.5 158.52 0.13 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 140.35 25.22 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.781 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.5 t -113.73 123.49 50.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.11 -60.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.941 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.921 . . . . . . . . 0 0 . 1 stop_ save_